SCHEMBL5583915

SCHEMBL5583915

C=CCOc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 4/20 0.46
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL1954323 0.84 ALDH1A1 (0.51) NPC1RAB9APOLBALDH1A1CYP3A4
SCHEMBL5784751 0.81 NPC1 (0.53) NPC1RAB9APOLBALDH1A1CYP3A4
SCHEMBL10367560 0.81 ALDH1A1 (0.49) NPC1RAB9APOLBALDH1A1CYP3A4
SCHEMBL470906 0.79 CA12 (0.57) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL30541768 0.79 CA12 (0.57) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL3825460 0.78 CA12 (0.64) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL28059356 0.78 ALDH1A1 (0.55) NPC1RAB9APOLBALDH1A1CYP3A4
SCHEMBL27620749 0.78 NPC1 (0.53) NPC1RAB9APOLBALDH1A1CYP3A4
SCHEMBL826938 0.78 ALDH1A1 (0.55) NPC1RAB9APOLBALDH1A1CYP3A4
SCHEMBL27891386 0.78 NPC1 (0.53) NPC1RAB9APOLBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138773-B1 USE OF QUINOLINE DERIVATIVES FOR THE PROTECTION OF CROP PLANTS CIBA-GEIGY AG (CH) 1990-08-29 EP claimed
EP-0138773-A2 Use of quinoline derivatives for the protection of crop plants CIBA-GEIGY AG (CH) 1985-04-24 EP claimed
CN-100384849-C Quinoline 3-Aminochroman Derivatives WYETH CORP (US) 2008-04-30 CN disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
CN-1809574-A Quinoline 3-amino chroman derivatives WYETH CORP (US) 2006-07-26 CN disclosed
EP-1638976-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES Wyeth (US) 2006-03-29 EP disclosed
US-20050004157-A1 Quinoline 3-amino chroman derivatives WYETH 2005-01-06 US disclosed
WO-2004099214-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES WYETH (US) 2004-11-18 WO disclosed
EP-0138773-B1 USE OF QUINOLINE DERIVATIVES FOR THE PROTECTION OF CROP PLANTS CIBA-GEIGY AG (CH) 1990-08-29 EP disclosed
US-4626591-A Trans-dl-1-alkyl-6-alkoxy-1,2,3,4,4a,5,8,8a octa-hydroquinolines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4540787-A Method of preparing trans-D1-1-alkyl-6-oxodecahydroquinolines ELI LILLY AND COMPANY (US) 1985-09-10 US disclosed
EP-0138773-A2 Use of quinoline derivatives for the protection of crop plants CIBA-GEIGY AG (CH) 1985-04-24 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 (2 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-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HTR3C, HTR3A, HTR2C NPC1 3159/4885RAB9A 1046/4885POLB 2096/4885
US-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C NPC1 3159/4885RAB9A 1046/4885POLB 2096/4885

“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.