SCHEMBL1710168

SCHEMBL1710168

CCCCCCCCOc1c(O)c2ccc(NC(=O)C=Cc3cc(OC)c(O)c(OC)c3)cc2n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
HTR1A P08908 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
BCHE P06276 12/20 0.42
ACHE P22303 12/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7997920 1.00 HTT (0.45) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL1710165 1.00 HTT (0.45) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL7997918 1.00 HTT (0.45) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL6579165 0.96 HTT (0.51) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL6579161 0.96 HTT (0.51) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL6582144 0.94 HTT (0.46) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL6582148 0.94 HTT (0.46) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL27494189 0.94 MEN1 (0.42) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL8000967 0.93 HTT (0.44) HTTHTR1AHTR2CHTR2ASLC6A4
SCHEMBL8000672 0.93 HTT (0.44) HTTHTR1AHTR2CHTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919934-B2 Compositions and methods for managing respiratory conditions EMORY UNIVERSITY (US) 2021-02-16 US claimed
US-20200331965-A1 Compositions and Methods for Managing Respiratory Conditions UNIV EMORY (US) 2020-10-22 US claimed
US-9782484-B2 Method for producing a composite organic compound powder for medical use ACTIVUS PHARMA CO., LTD. (JP) 2017-10-10 US claimed
EP-2143423-B1 METHOD FOR PRODUCING PULVERIZED ORGANIC COMPOUND PARTICLE ACTIVUS PHARMA CO LTD (JP) 2015-12-09 EP claimed
EP-2345426-B1 COMPOSITE ORGANIC COMPOUND POWDER FOR MEDICAL USE, METHOD FOR PRODUCING SAME AND SUSPENSION OF SAME ACTIVUS PHARMA CO LTD (JP) 2014-03-05 EP claimed
US-20140038931-A1 METHOD FOR PRODUCING A COMPOSITE ORGANIC COMPOUND POWDER FOR MEDICAL USE ACTIVUS PHARMA CO., LTD. (JP) 2014-02-06 US claimed
US-20120237768-A1 METHOD FOR PRODUCING PULVERIZED ORGANIC COMPOUND PARTICLE ACTIVUS PHARMA CO., LTD. (JP) 2012-09-20 US claimed
EP-2345426-A1 COMPOSITE ORGANIC COMPOUND POWDER FOR MEDICAL USE, METHOD FOR PRODUCING SAME AND SUSPENSION OF SAME Activus Pharma Co., Ltd. (JP) 2011-07-20 EP claimed
US-20110165259-A1 COMPOSITE ORGANIC COMPOUND POWDER FOR MEDICAL USE, METHOD FOR PRODUCING SAME AND SUSPENSION OF SAME ACTIVUS PHARMA CO., LTD. (JP) 2011-07-07 US claimed
US-20100016597-A1 Method for producing pulverized organic compound particle ACTIVUS PHARMA CO., LTD. (JP) 2010-01-21 US claimed
US-20240132455-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2024-04-25 US disclosed
US-20240066101-A1 VIP and VIP Agonists, Nanoparticles, and Uses in Inflammatory T-Cell Mediated Disease EMORY UNIVERSITY 2024-02-29 US disclosed
US-20240041896-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING BRONCHIECTASIS ASTRAZENECA AB (SE) 2024-02-08 US disclosed
US-11814359-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-11-14 US disclosed
US-11786580-B2 VIP and VIP agonists, nanoparticles, and uses in inflammatory T-cell mediated disease EMORY UNIVERSITY (US) 2023-10-17 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0933378-A1 Quinolinone glycoside, production process, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-04 EP disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP 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 (5 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-20240132455-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 HTT 4781/4885HTR1A 2177/4885HTR2C 2603/4885
US-10919934-B2 Compositions and methods for managing respiratory conditions EPCAM, ANXA5, CFTR HTT 3851/4885HTR1A 2442/4885HTR2C 2628/4885
US-11814359-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 HTT 4765/4885HTR1A 2013/4885HTR2C 2492/4885
US-20200331965-A1 Compositions and Methods for Managing Respiratory Conditions EPCAM, ANXA5, CFTR HTT 3851/4885HTR1A 2442/4885HTR2C 2628/4885
US-20240041896-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING BRONCHIECTASIS DPEP1, TPP1, DPP9 HTT 4877/4885HTR1A 1736/4885HTR2C 3530/4885

“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.