SCHEMBL2908249

SCHEMBL2908249

CCN1CCN(C(c2ccccc2)c2c[nH]nc2-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
OPRD1 P41143 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1G O43497 1/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL2909897 0.86 KCNH2 (0.56) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL2908468 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL13784937 0.77 OPRM1 (0.63) ALDH1A1MAPK1MEN1KMT2AOPRD1
SCHEMBL2908475 0.75 KCNA3 (0.36) ALDH1A1MAPK1MEN1KMT2AOPRD1
SCHEMBL2907391 0.71 OPRM1 (0.50) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL2905341 0.71 CHRM2 (0.43) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL16156938 0.70 ALOX15 (0.39) ALDH1A1SMN1; SMN2MAPK1KMT2AATM
SCHEMBL2901695 0.69 ALOX15 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL16769449 0.69 KCNH2 (0.69) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL16769332 0.69 MEN1 (0.68) ALDH1A1MAPK1MEN1KMT2AOPRD1

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 4 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
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 disclosed
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 ALDH1A1 1336/4885SMN1; SMN2 1277/4885MAPK1 1286/4885

“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.