SCHEMBL2902824

SCHEMBL2902824

c1ccc(C(c2c[nH]nc2-c2ccco2)N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
TP53 P04637 1/20 0.37
STK4 Q13043 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
SCHEMBL2909633 0.88 MEN1 (0.50) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL2903266 0.87 P4HB (0.41) MAPTALDH1A1LMNANPSR1STK4
SCHEMBL2908995 0.85 BRAF (0.46) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL2905283 0.84 ALDH1A1 (0.52) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL2902613 0.83 PIK3R1 (0.37) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL2905003 0.83 SIRT1 (0.38) MAPTHSP90AA1ALDH1A1LMNAKDM4E
SCHEMBL2907788 0.81 LMNA (0.37) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL2906133 0.79 HSP90AA1 (0.43) MAPTHSP90AA1ALDH1A1KDM4ENPSR1
SCHEMBL2908049 0.79 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ENPC1USP2
SCHEMBL6688551 0.78 ALDH1A1 (0.43) HSP90AA1ALDH1A1LMNAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 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 (1 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-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A MAPT 1204/4885HSP90AA1 2602/4885ALDH1A1 1336/4885

“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.