SCHEMBL18554335

SCHEMBL18554335

O=C(NCCc1ccccc1)[C@@H]1C[C@@H](F)CN1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 3/20 0.58
▸ MC4R P32245 1/20 0.56
▸ DPP4 P27487 1/20 0.55
▸ TAAR1 Q96RJ0 7/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CA12 O43570 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ CYP2C19 P33261 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL18546544 0.99 CTSC (0.57) CTSCMC4RDPP4TAAR1NPSR1
SCHEMBL18554382 0.93 KMT2A (0.58) CTSCMC4RDPP4GAAMEN1
SCHEMBL18554400 0.93 KMT2A (0.58) CTSCMC4RDPP4GAAMEN1
SCHEMBL18554367 0.92 KMT2A (0.54) CTSCMC4RDPP4TAAR1NPSR1
Hydrochloric Acid SCHEMBL18546419 0.92 KMT2A (0.60) CTSCMC4RDPP4GAAMEN1
Hydrochloric Acid SCHEMBL18554483 0.92 KMT2A (0.60) CTSCMC4RDPP4GAAMEN1
SCHEMBL18546468 0.92 KMT2A (0.54) CTSCMC4RDPP4TAAR1NPSR1
SCHEMBL18556183 0.87 CTSC (0.59) CTSCMC4RDPP4NPSR1
SCHEMBL7067405 0.87 CTSC (0.59) CTSCMC4RDPP4NPSR1
SCHEMBL11170974 0.87 MC4R (0.66) MC4RDPP4TAAR1NPSR1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 — — US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 — — US disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 — — US disclosed
US-10660876-B2 Amino compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-26 — — US disclosed
US-10385097-B2 Ether compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-08-20 — — US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 — — US disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 — — US disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-20180177761-A1 AMINO COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 — — US disclosed
US-10000516-B2 Phosphonate compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-19 — — US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 — — US disclosed
WO-2017035349-A1 AMIDE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — WO disclosed
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — US disclosed
WO-2017035355-A1 ETHER COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — WO disclosed
WO-2017035351-A1 AMINO COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — WO disclosed
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — US disclosed
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — US disclosed
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — US disclosed
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — US disclosed
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CTSC 473/4885MC4R 1733/4885DPP4 2144/4885
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 CTSC 473/4885MC4R 1733/4885DPP4 2144/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 CTSC 464/4885MC4R 1668/4885DPP4 2150/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CTSC 473/4885MC4R 1733/4885DPP4 2144/4885
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders CFD, TFPI, F12 CTSC 1849/4885MC4R 2356/4885DPP4 3160/4885
US-10385097-B2 Ether compounds for treatment of medical disorders CFD, TFPI, F12 CTSC 1849/4885MC4R 2356/4885DPP4 3160/4885
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders CFD, TFPI, CFH CTSC 1854/4885MC4R 3270/4885DPP4 2808/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 CTSC 473/4885MC4R 1733/4885DPP4 2144/4885
US-10660876-B2 Amino compounds for treatment of medical disorders CFD, CFH, F12 CTSC 506/4885MC4R 1649/4885DPP4 1500/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CTSC 473/4885MC4R 1733/4885DPP4 2144/4885
US-20180177761-A1 AMINO COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, CFH, F12 CTSC 506/4885MC4R 1649/4885DPP4 1500/4885
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders CFD, TFPI, CFH CTSC 868/4885MC4R 2470/4885DPP4 2634/4885
US-10000516-B2 Phosphonate compounds for treatment of medical disorders CFD, TFPI, CFH CTSC 1854/4885MC4R 3270/4885DPP4 2808/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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