SCHEMBL4969358

SCHEMBL4969358

ClC1c2ccccc2CCc2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
RET P07949 1/20 0.40
HTR2A P28223 1/20 0.40
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38
ADRA1A P35348 2/20 0.38
CXCR4 P61073 2/20 0.38
ACP3 P15309 1/20 0.38
RECQL P46063 2/20 0.37
NSD2 O96028 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1978262 0.84 FNTA (0.60) FNTAFNTB
SCHEMBL22193783 0.80 RET (0.39) FNTAFNTBRETHTR2AOPRL1
SCHEMBL22193900 0.80 HTR2A (0.39) FNTAFNTBRETHTR2AOPRL1
SCHEMBL8355428 0.80 HTR2A (0.39) FNTAFNTBRETHTR2AOPRL1
SCHEMBL12050758 0.80 P2RX7 (0.41) FNTAFNTBRETHTR2AOPRL1
Hydrochloric Acid SCHEMBL10416486 0.79 CYP2D6 (0.45) RETHTR2AADRA1AACP3RECQL
SCHEMBL440138 0.77 HTR2A (0.54) RETHTR2AACP3
SCHEMBL29793145 0.77 HTR2A (0.54) RETHTR2AACP3
SCHEMBL4966335 0.76 OPRL1 (0.44) FNTAFNTBOPRL1KCNH2CXCR4
SCHEMBL6992704 0.76 PDPK1 (0.45) FNTAFNTBRETHTR2AOPRL1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
EP-1973882-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2008-10-01 EP disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed
US-6740661-B2 TRICYCLIC IMINE CONTAINING COMPOUNDS HAVING IMIDAZOLE SUBSTITUENT; ANTITUMOR AGENTS SCHERING CORPORATION 2004-05-25 US disclosed
US-6372747-B1 ENZYME INHIBITORS AND ANTICARCINOGENIC AGENTS SCHERING CORPORATION 2002-04-16 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 (3 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 FNTA 3223/4885FNTB 3531/4885RET 1556/4885
US-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS FNTA 2/4885FNTB 1/4885RET 1330/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 FNTA 3223/4885FNTB 3531/4885RET 1556/4885

“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.