SCHEMBL2903067

SCHEMBL2903067

Fc1cccc(-c2ccc(C(c3c[nH]nc3-c3ccco3)N3CCNCC3)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
OPRM1 P35372 1/20 0.36
HTR7 P34969 5/20 0.35
HTR1A P08908 3/20 0.35
HTR1D P28221 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
HTR6 P50406 2/20 0.34
HTR1B P28222 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
P4HB P07237 2/20 0.33
BCL2A1 Q16548 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A3 Q01959 3/20 0.32
KCNH2 Q12809 2/20 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
Morpholine SCHEMBL2905731 0.96 OPRD1 (0.35) OPRD1PIK3R1PIK3CAOPRM1HTR7
SCHEMBL2904844 0.91 OPRD1 (0.40) OPRD1PIK3R1PIK3CAHTR7HTR1A
SCHEMBL2902613 0.91 PIK3R1 (0.37) PIK3R1PIK3CAP4HBMEN1KMT2A
SCHEMBL2910374 0.87 ALDH1A1 (0.41) PIK3R1PIK3CAKMT2A
SCHEMBL2902357 0.87 HRH3 (0.37) PIK3R1PIK3CAOPRM1HTR1ASLC6A2
SCHEMBL2908848 0.85 LRRK2 (0.36) PIK3R1PIK3CA
SCHEMBL2904802 0.84 P4HB (0.38) OPRD1P4HBMEN1KMT2AKCNH2
SCHEMBL2905924 0.84 OPRD1 (0.40) OPRD1OPRM1HTR7HTR1AP4HB
SCHEMBL2909633 0.83 MEN1 (0.50) OPRD1OPRM1MEN1KMT2A
SCHEMBL2904791 0.83 CYP3A4 (0.42) ABCB1

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 OPRD1 104/4885PIK3R1 2479/4885PIK3CA 3500/4885

“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.