SCHEMBL2095490

SCHEMBL2095490

COC(=O)NCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
GAA P10253 1/20 0.69
CA12 O43570 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
MGLL Q99685 1/20 0.58
EPHX1 P07099 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL9127807 0.90 GLA (0.62) TAAR1NPC1RAB9AGAAALDH1A1
SCHEMBL7413222 0.89 L3MBTL1 (0.64) TAAR1NPC1RAB9AGAAEPHX1
Hydrochloric Acid SCHEMBL3998162 0.88 TAAR1 (0.56) TAAR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL15549118 0.87 HDAC3 (0.78) TAAR1NPC1RAB9AGAAHDAC3
SCHEMBL16552390 0.87 EPHX2 (0.64) TAAR1NPC1RAB9AGAAHPGD
Succinimide SCHEMBL28128994 0.86 TAAR1 (0.55) TAAR1NPC1RAB9AGAACA12
SCHEMBL16552358 0.86 NPC1 (0.63) TAAR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL17550879 0.84 NPC1 (0.60) TAAR1NPC1RAB9AGAACA12
SCHEMBL14515858 0.84 MAPT (0.74) TAAR1NPC1RAB9AGAACA12
SCHEMBL158220 0.84 HDAC3 (0.78) TAAR1NPC1RAB9AGAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200457-B1 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2004-08-25 EP claimed
US-6635621-B1 Alpha amino acid amide derivatives; reducing cathepsins B, L, S and/or K activity NAEJA PHARMACEUTICAL INC. (CA) 2003-10-21 US claimed
EP-1200457-A2 CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-05-02 EP claimed
WO-2001009169-A2 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2001-02-08 WO claimed
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF EVOTEC (FRANCE) SAS (FR) 2023-01-19 US disclosed
US-20220267352-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-08-25 US disclosed
US-11230557-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-11021492-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20210008041-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-14 US disclosed
US-5602145-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-02-11 US disclosed
EP-0702671-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1996-06-19 EP disclosed
EP-0702671-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-27 EP disclosed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP disclosed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed
EP-0670310-A1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants ELI LILLY AND COMPANY (US) 1995-09-06 EP disclosed
WO-1994029273-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-22 WO disclosed
WO-1993012091-A1 D- AND L-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACIDS AND THEIR DERIVATIVES CONTAINING URETHANE-TYPE N-PROTECTING GROUPS AS WELL AS A PROCESS FOR PREPARING THEM AND THE CORRESPONDING RACEMATES Gyógyszerkutató Intézet Kft. (HU) 1993-06-24 WO 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 (7 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-20220267352-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR TAAR1 4653/4885NPC1 646/4885RAB9A 990/4885
US-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR TAAR1 4775/4885NPC1 1541/4885RAB9A 959/4885
US-20210008041-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR TAAR1 4775/4885NPC1 1541/4885RAB9A 959/4885
US-11230557-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR TAAR1 4775/4885NPC1 1541/4885RAB9A 959/4885
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR TAAR1 4731/4885NPC1 1119/4885RAB9A 462/4885
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR TAAR1 4775/4885NPC1 1541/4885RAB9A 959/4885
US-11021492-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR TAAR1 4775/4885NPC1 1541/4885RAB9A 959/4885

“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.