SCHEMBL1168660

SCHEMBL1168660

CCCCCC1CCCC[N]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.44
NOS2 P35228 8/20 0.44
CYP1A2 P05177 4/20 0.40
EPHX1 P07099 1/20 0.36
NOS3 P29474 5/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
NAAA Q02083 1/20 0.31
SCN2A Q99250 1/20 0.31

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
SCHEMBL7636658 0.98 NOS1 (0.43) NOS1NOS2CYP1A2EPHX1NOS3
SCHEMBL2106032 0.98 NOS1 (0.43) NOS1NOS2CYP1A2EPHX1NOS3
SCHEMBL1691768 0.94 NOS1 (0.42) NOS1NOS2CYP1A2EPHX1NOS3
SCHEMBL295542 0.94 NOS1 (0.50) NOS1NOS2CYP1A2NOS3
SCHEMBL10707537 0.92 EPHX1 (0.41) NOS1NOS2CYP1A2EPHX1NOS3
SCHEMBL7634559 0.92 EPHX1 (0.41) NOS1NOS2CYP1A2EPHX1NOS3
SCHEMBL5214635 0.92 CYP1A2 (0.50) NOS1NOS2CYP1A2NOS3ALDH1A1
SCHEMBL7300362 0.89 SPHK2 (0.39) NOS1NOS2CYP1A2EPHX1ALDH1A1
SCHEMBL6510677 0.87
SCHEMBL1219807 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD. (CN) 2014-05-15 US claimed
EP-2727919-A1 BENZOCYCLOHEPTANETHIOPHENE DERIVATIVES FOR ANTI-ALLERGIC REACTIONS Fujian Mindong Rejuvenation Pharmaceutical Co., Ltd. (CN) 2014-05-07 EP claimed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US claimed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO claimed
CN-1316419-A Arenesulfonyl amino-iso hydroximic acid derivative PFIZER (US) 2001-10-10 CN claimed
CN-1304930-A Arylsulfurylisooximino acid derivative PFIZER (US) 2001-07-25 CN claimed
CN-1305479-A Pyrrolo [2,3-d] pyrmidine compounds PFIZER PROD INC (US) 2001-07-25 CN claimed
EP-2727919-B1 BENZOCYCLOHEPTANETHIOPHENE DERIVATIVES FOR ANTI-ALLERGIC REACTIONS FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO LTD (CN) 2019-05-08 EP disclosed
US-10022362-B2 Anti-allergy benzocycloheptathiophene derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD (CN) 2018-07-17 US disclosed
US-20160166563-A1 Anti-Allergy Benzocycloheptathiophene Derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD (CN) 2016-06-16 US disclosed
EP-1542013-B1 CHEMILUMINESCENCE ENHANCER FUJIREBIO KK (JP) 2016-04-13 EP disclosed
US-9296731-B2 Anti-allergy benzocycloheptathiophene derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD. (CN) 2016-03-29 US disclosed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 US disclosed
CN-1316419-A Arenesulfonyl amino-iso hydroximic acid derivative PFIZER (US) 2001-10-10 CN disclosed
CN-1305479-A Pyrrolo [2,3-d] pyrmidine compounds PFIZER PROD INC (US) 2001-07-25 CN disclosed
CN-1304930-A Arylsulfurylisooximino acid derivative PFIZER (US) 2001-07-25 CN disclosed
US-5679692-A ANTIASTHMATIC, ANTIALLERGENS AND ANTIINFLAMMATORY AGENT SCHERING CORPORATION (US) 1997-10-21 US disclosed
US-5583000-A DETECTING PRESENCE OF RETROVIRAL PROTEASES IN SAMPLE BY COMBINING WITH SPECIFIED COMPOUND AND DETECTING PRESENCE OF COMPLEXES FORMED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-10 US disclosed
US-5583000-A DETECTING PRESENCE OF RETROVIRAL PROTEASES IN SAMPLE BY COMBINING WITH SPECIFIED COMPOUND AND DETECTING PRESENCE OF COMPLEXES FORMED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-10 US disclosed
US-4069196-A Piperidyl esters of higher di-tri-, and polybasic aliphatic carboxylic acids as stabilizers for polymeric materials CIBA-GEIGY CORPORATION (US) 1978-01-17 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 (4 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 NOS1 4622/4885NOS2 4854/4885CYP1A2 4825/4885
US-20160166563-A1 Anti-Allergy Benzocycloheptathiophene Derivatives NR1H4, TST, CYP7A1 NOS1 1809/4885NOS2 2362/4885CYP1A2 209/4885
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES TST, HRH1, ABCB11 NOS1 2387/4885NOS2 2713/4885CYP1A2 111/4885
US-10022362-B2 Anti-allergy benzocycloheptathiophene derivatives NR1H4, TST, CYP7A1 NOS1 1809/4885NOS2 2362/4885CYP1A2 209/4885

“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.