SCHEMBL1756937

SCHEMBL1756937

O=[C]C1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
EPHX1 P07099 1/20 0.45
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
CHRNA7 P36544 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9159886 1.00 IDO1 (0.49) IDO1HTTALDH1A1KMT2AMEN1
SCHEMBL9167813 1.00 IDO1 (0.49) IDO1HTTALDH1A1KMT2AMEN1
SCHEMBL384148 0.88 IDO1 (0.46) IDO1CHRNA7
SCHEMBL9165647 0.88 IDO1 (0.46) IDO1CHRNA7
SCHEMBL779498 0.81 IDO1 (0.49) IDO1HTTALDH1A1KMT2AMEN1
SCHEMBL9261609 0.81 IDO1 (0.49) IDO1HTTALDH1A1KMT2AMEN1
SCHEMBL1942800 0.79 IGF1R (0.36) IDO1HTTALDH1A1KMT2AMEN1
SCHEMBL25189588 0.76 IDO1 (0.43) IDO1HTTALDH1A1KMT2AMEN1
SCHEMBL9160631 0.75 CHRNB2 (0.44) KMT2A
SCHEMBL4656200 0.75 CHRNB2 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP claimed
JP-4361566-B2 2009-11-11 JP claimed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US claimed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP claimed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP claimed
EP-1653960-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN INC (US) 2008-11-26 EP claimed
EP-1252890-B1 REMEDIES OR PREVENTIVES FOR DIGESTIVE DISEASES CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA (JP) 2008-07-02 EP claimed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US claimed
JP-2007534638-A 2007-11-29 JP claimed
US-20070031415-A1 Regulation of interaction between rapl and rap1 ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-02-08 US claimed
EP-1252889-A1 REMEDIES OR PREVENTIVES FOR PULMONARY INSUFFICIENCY CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-10-30 EP claimed
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-4898876-A Benzoylpiperazine esters and a process for their production KOWA CO., LTD. (JP) 1990-02-06 US claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US claimed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 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 (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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 IDO1 948/4885HTT 3553/4885ALDH1A1 2927/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 IDO1 905/4885HTT 3444/4885ALDH1A1 2917/4885
US-20070031415-A1 Regulation of interaction between rapl and rap1 RAP1A, RAPGEF3, RAPGEF4 IDO1 3526/4885HTT 4539/4885ALDH1A1 3396/4885

“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.