SCHEMBL244301

SCHEMBL244301

c1ccc2c(c1)NC1CNCCC21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.42
HTR2A P28223 7/20 0.42
HTR2B P41595 7/20 0.42
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
PARP1 P09874 1/20 0.36
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL6787733 0.87 HTR2C (0.42) HTR2CLMNATSHRPARP1
SCHEMBL6787727 0.87 HTR2C (0.42) HTR2CLMNATSHRPARP1
SCHEMBL1226267 0.86 HTR2C (0.42) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL292288 0.86 HTR2C (0.42) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL1226270 0.86 HTR2C (0.42) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL1226161 0.86 HTR2C (0.42) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL1226165 0.86 HTR2C (0.42) HTR2CHTR2AHTR2BLMNATSHR
SCHEMBL1173166 0.83 HTR2A (0.59) HTR2CHTR2AHTR2BCHRNB4CHRNA3
SCHEMBL1173167 0.83 HTR2A (0.59) HTR2CHTR2AHTR2BCHRNB4CHRNA3
SCHEMBL13633921 0.83 HTR2A (0.59) HTR2CHTR2AHTR2BCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034892-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity SRX CARDIO, LLC (US) 2018-07-31 US claimed
US-20170246196-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX CARDIO, LLC (US) 2017-08-31 US claimed
EP-3182971-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX Cardio, LLC (US) 2017-06-28 EP claimed
WO-2016029037-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX CARDIO, LLC (US) 2016-02-25 WO claimed
US-20120122804-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2012-05-17 US claimed
US-7612063-B2 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. (US) 2009-11-03 US claimed
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2009-08-27 US claimed
EP-1874731-A4 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS INC (US) 2009-08-05 EP claimed
US-20080261963-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYLENE PHARMACEUTICALS, INC. 2008-10-23 US claimed
US-7381720-B2 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. (US) 2008-06-03 US claimed
US-20060229303-A1 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. 2006-10-12 US claimed
WO-2006078317-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2006-07-27 WO claimed
US-20060063761-A1 Novel benzothiazole compounds and methods of use thereof SENHWA BIOSCIENCES, INC. (TW) 2006-03-23 US claimed
WO-2006015150-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF CYLENE PHARMACEUTICALS (US) 2006-02-09 WO claimed
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof CYLENE PHARMACEUTICALS 2006-02-02 US claimed
EP-1610759-A2 SUBSTITUTED QUINOBENZOXAZINE ANALOGS Cylene Pharmaceuticals, Inc. (US) 2006-01-04 EP claimed
EP-1610795-A2 HETEROCYCLIC SUBSTITUTED 1,4-DIHYDRO-4-OXO-1,8-NAPHTHPYRIDINE ANALOGS Cylene Pharmaceuticals, Inc. (US) 2006-01-04 EP claimed
US-20050004160-A1 Heterocyclic substituted 1,4-dihydri-4-0x9-1,8-naphthyridine analogs CYLENE PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004091627-A2 HETEROCYCLIC SUBSTITUTED 1,4-DIHYDRO-4-OXO-1,8-NAPHTHPYRIDINE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2004-10-28 WO claimed
WO-2004091504-A2 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2004-10-28 WO claimed

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

For each of this compound's patents that has machine-readable text (9 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-20170246196-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY PCSK9, LDLR, PCSK7 HTR2C 3890/4885HTR2A 3889/4885HTR2B 3789/4885
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof PIN1, HPD, DHPS HTR2C 3458/4885HTR2A 3722/4885HTR2B 3533/4885
US-20060229303-A1 Substituted quinobenzoxazine analogs CYP3A5, UGT2B7, CYP2D6 HTR2C 1074/4885HTR2A 832/4885HTR2B 760/4885
US-20060063761-A1 Novel benzothiazole compounds and methods of use thereof MLNR, CCKBR, CYP2B6 HTR2C 430/4885HTR2A 843/4885HTR2B 468/4885
US-20080261963-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYP3A5, UGT2B7, CYP2D6 HTR2C 1074/4885HTR2A 832/4885HTR2B 760/4885
US-20050004160-A1 Heterocyclic substituted 1,4-dihydri-4-0x9-1,8-naphthyridine analogs CYP2C9, CYP4X1, UGT1A9 HTR2C 1411/4885HTR2A 1637/4885HTR2B 1119/4885
US-20120122804-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYP3A5, UGT2B7, CYP2D6 HTR2C 1074/4885HTR2A 832/4885HTR2B 760/4885
US-10034892-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity PCSK9, LDLR, PCSK7 HTR2C 3890/4885HTR2A 3889/4885HTR2B 3789/4885
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYP2W1, NQO2, UGT2B7 HTR2C 1023/4885HTR2A 853/4885HTR2B 188/4885

“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.