SCHEMBL2904868

SCHEMBL2904868

CN1CCC(NCC(c2ccccc2)c2c[nH]nc2-c2ccccc2F)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
CHEK2 O96017 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BACE1 P56817 1/20 0.32
KAT2B Q92831 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRL1 P41146 1/20 0.32
SSTR4 P31391 1/20 0.32

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
SCHEMBL2902633 0.87 BACE1 (0.37) MEN1KMT2ADYRK1ACHEK2ADRB2
SCHEMBL2909769 0.82 ADRB2 (0.35) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL2904863 0.76 CCR5 (0.34) CHRM3MEN1KMT2AKDM4E
SCHEMBL2904637 0.73 TP53 (0.33) MEN1KMT2AKDM4EALDH1A1MAPK1
SCHEMBL2907391 0.72 OPRM1 (0.50) CHRM3MEN1KMT2AKDM4EALDH1A1
SCHEMBL2904850 0.70 NTRK1 (0.34) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL2902536 0.69 OPRK1 (0.36) MEN1KMT2AKDM4EL3MBTL1OPRL1
SCHEMBL31269781 0.68 KDM4E (0.55) ADRB2ADRB1ADRB3KDM4EGAA
SCHEMBL2908468 0.68 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAAMAPK1
SCHEMBL2905341 0.67 CHRM2 (0.43) CHRM3MEN1KMT2AKDM4EALDH1A1

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 CHRM3 176/4885MEN1 1857/4885KMT2A 2510/4885

“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.