SCHEMBL2909335

SCHEMBL2909335

CN1CCCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2c[nH]nc2-c2ccco2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL2902357 0.92 HRH3 (0.37) HRH3MAPTHTTNPSR1SMN1; SMN2
SCHEMBL2909115 0.86 PTK2 (0.36) HRH3MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL2904844 0.85 OPRD1 (0.40) MAPTCYP2D6HTR1ASLC6A2SLC6A4
SCHEMBL2903266 0.85 P4HB (0.41) HRH3MAPTHTTNPSR1ALDH1A1
SCHEMBL2904606 0.84 P2RX3 (0.37) HRH3MAPTHTTNPSR1ALDH1A1
SCHEMBL2904810 0.83 HSP90AA1 (0.43) HRH3MAPTHTTNPSR1SMN1; SMN2
SCHEMBL2905980 0.83 ALDH1A1 (0.42) MAPTNPSR1ALDH1A1USP2CYP3A4
SCHEMBL2907701 0.82 ALDH1A1 (0.40) MAPTNPSR1SMN1; SMN2ALDH1A1USP2
SCHEMBL2902713 0.81 CYP3A4 (0.42) MAPTNPSR1ALDH1A1USP2CYP3A4
SCHEMBL2907737 0.80 LMNA (0.33) MAPTHTTALDH1A1KCNH2LMNA

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 HRH3 111/4885MAPT 1204/4885HTT 501/4885

“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.