SCHEMBL2904810

SCHEMBL2904810

CN1CCN(C(c2ccc(Br)cc2)c2c[nH]nc2-c2ccco2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.40
LMNA P02545 3/20 0.38
CHRM2 P08172 3/20 0.37
ADRA2A P08913 3/20 0.37
CHRM1 P11229 3/20 0.37
DRD1 P21728 3/20 0.37
DRD3 P35462 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 3/20 0.37
CYP2D6 P10635 3/20 0.37
OPRM1 P35372 2/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 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
SCHEMBL2904606 0.84 P2RX3 (0.37) HSP90AA1MEN1KMT2APOLBLMNA
SCHEMBL2909335 0.83 HRH3 (0.43) MEN1KMT2APOLBLMNACHRM2
SCHEMBL2907701 0.82 ALDH1A1 (0.40) MEN1KMT2APOLBLMNACYP2D6
SCHEMBL2902357 0.80 HRH3 (0.37) HSP90AA1MEN1KMT2APOLBLMNA
SCHEMBL2909115 0.79 PTK2 (0.36) HSP90AA1MEN1KMT2APOLBLMNA
SCHEMBL2909633 0.78 MEN1 (0.50) MEN1KMT2ALMNAOPRM1MAPT
SCHEMBL2902824 0.78 MAPT (0.47) HSP90AA1POLBLMNAOPRM1MAPT
SCHEMBL2905283 0.77 ALDH1A1 (0.52) MEN1KMT2ALMNACYP2D6MAPT
SCHEMBL2905924 0.76 OPRD1 (0.40) MEN1KMT2APOLBOPRM1HTR1A
SCHEMBL2908995 0.76 BRAF (0.46) MEN1KMT2APOLBLMNAMAPT

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 HSP90AA1 2602/4885MEN1 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.