SCHEMBL5402382

SCHEMBL5402382

NC(=O)C(c1ccnc2ccccc12)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
CYP2D6 P10635 9/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NCF1 P14598 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
PTK2B Q14289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 1/20 0.38
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
CAMKK1 Q8N5S9 1/20 0.37

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
SCHEMBL28069309 0.77 NCF1 (0.46) LOXL2CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL8329989 0.74 ALDH1A1 (0.50) LOXL2CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL20468980 0.72 IDO1 (0.49) CYP2C19CYP3A4MAPTCYP2C9NPC1
SCHEMBL7379919 0.71 LOXL2 (0.44) LOXL2CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL7379914 0.71 ALDH1A1 (0.44) LOXL2CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL2751914 0.71 METAP2 (0.51) CYP2D6ALDH1A1PREP
SCHEMBL27216809 0.70 ALDH1A1 (0.46) LOXL2CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL8907421 0.70 NCF1 (0.52) LOXL2CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL1591841 0.70 NCF1 (0.52) LOXL2CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL28849227 0.69 NPC1 (0.45) LOXL2CYP2D6CYP2C19CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists PFIZER INC 2007-08-23 US disclosed
US-7220760-B2 Quinoline derivatives as CRTH2 antagonists PFIZER INC. (US) 2007-05-22 US disclosed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP disclosed
EP-1556356-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS Warner-Lambert Company LLC (US) 2005-07-27 EP disclosed
US-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis WARNER-LAMBERT COMPANY LLC 2004-07-08 US disclosed
EP-1435356-A1 Quinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-07-07 EP disclosed
WO-2004035543-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-04-29 WO disclosed
EP-1413306-A1 Tetrahydroquinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-04-28 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-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis HRH1, HRH2, HRH4 LOXL2 2611/4885CYP2D6 226/4885CYP2C19 273/4885
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists HRH2, HRH1, HRH3 LOXL2 2259/4885CYP2D6 794/4885CYP2C19 1676/4885

“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.