SCHEMBL285241

SCHEMBL285241

COc1cc[c]cc1N1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.60
DRD3 P35462 5/20 0.60
DRD4 P21917 1/20 0.43
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR6 P50406 6/20 0.41
HTR1A P08908 4/20 0.40
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
HTR2C P28335 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
ADRA1B P35368 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL188354 0.87 DRD2 (0.60) DRD2DRD3DRD4HRH2HRH3
SCHEMBL2479623 0.86 ALDH1A1 (0.44) DRD2DRD3DRD4HRH2HTR6
SCHEMBL3598987 0.83 ALDH1A1 (0.43) DRD2DRD3DRD4ALDH1A1TSHR
SCHEMBL6199705 0.83 DRD2 (0.49) DRD2DRD3DRD4HRH2HTR1A
SCHEMBL3613772 0.82 AKR1C3 (0.46) DRD2DRD3DRD4HRH2HTR6
SCHEMBL6199815 0.82 HTR3A (0.61) DRD2DRD3HTR6HTR1AHTR7
SCHEMBL6201305 0.80 AKR1C3 (0.45) ALDH1A1TSHRMEN1KMT2A
SCHEMBL16463118 0.79 ADRA2C (0.43) DRD2DRD3DRD4HTR1AHTR1D
SCHEMBL4164390 0.77 HTR1A (0.49) DRD2DRD3DRD4HRH3HTR6
SCHEMBL3589113 0.76 DRD2 (0.50) DRD2DRD3DRD4HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US claimed
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP claimed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP claimed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 US claimed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 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 (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-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof ACE, ACE2, CTRL DRD2 4682/4885DRD3 4255/4885DRD4 4363/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 DRD2 3191/4885DRD3 3876/4885DRD4 2441/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 DRD2 3191/4885DRD3 3876/4885DRD4 2441/4885
US-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN DRD2 4782/4885DRD3 4637/4885DRD4 4609/4885

“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.