SCHEMBL349764

SCHEMBL349764

O=[C]NCCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
TAAR1 Q96RJ0 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP1A2 P05177 3/20 0.56
TDP1 Q9NUW8 1/20 0.54
CYP2C19 P33261 1/20 0.51
HRH1 P35367 2/20 0.50
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.46
CNR1 P21554 1/20 0.46
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
HSD11B1 P28845 1/20 0.44

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
SCHEMBL5255150 0.89 HRH3 (0.51) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL5254438 0.88 HRH1 (0.53) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL5256416 0.86 HRH1 (0.56) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL5254488 0.86 HRH1 (0.56) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL772291 0.81 SMN1; SMN2 (0.56) ALDH1A1ALOX15TDP1RAB9ANPC1
SCHEMBL1496464 0.79 CYP1A2 (0.61) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL1921574 0.78 HRH3 (0.70) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL23053146 0.76 CYP1A2 (0.69) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL8176900 0.76 NAAA (0.35) HRH3ALDH1A1
SCHEMBL230753 0.75 HRH1 (0.73) HRH3ALDH1A1LMNATAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
CN-101341129-B Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2011-12-14 CN claimed
JP-4603265-B2 2010-12-22 JP claimed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US claimed
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 CN claimed
CN-101341129-A Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-07 CN claimed
CN-101341124-A Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-07 CN claimed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 WO claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 CN claimed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US claimed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO claimed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO claimed
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP claimed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US claimed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed
US-4297355-A (1H,3H,5H)-(1)-Benzopyrano-(2,3-d)-pyrimidine-4-one-2-thiones and their use as anti-allergy agents SCHERING CORPORATION (US) 1981-10-27 US 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 (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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR HRH3 2308/4885ALDH1A1 918/4885LMNA 4272/4885
US-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A HRH3 4642/4885ALDH1A1 3345/4885LMNA 2498/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF HRH3 1077/4885ALDH1A1 948/4885LMNA 1993/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 HRH3 4356/4885ALDH1A1 2793/4885LMNA 3333/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 HRH3 4356/4885ALDH1A1 2793/4885LMNA 3333/4885

“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.