SCHEMBL2904844

SCHEMBL2904844

Fc1ccc(-c2ccc(C(c3c[nH]nc3-c3ccco3)N3CCNCC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.40
P4HB P07237 3/20 0.40
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A3 Q01959 4/20 0.35
CYP2D6 P10635 3/20 0.35
KCNH2 Q12809 3/20 0.35
CYP19A1 P11511 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL2903067 0.91 OPRD1 (0.37) OPRD1P4HBSLC6A2SLC6A4MEN1
SCHEMBL2903266 0.90 P4HB (0.41) P4HBLMNAPOLBMAPTPIK3R1
Morpholine SCHEMBL2905731 0.88 OPRD1 (0.35) OPRD1P4HBLMNAPOLBMAPT
SCHEMBL2905924 0.88 OPRD1 (0.40) OPRD1P4HBPOLBMAPTMEN1
SCHEMBL2909633 0.87 MEN1 (0.50) OPRD1LMNAMAPTMEN1KMT2A
SCHEMBL2905980 0.85 ALDH1A1 (0.42) LMNAPOLBMAPTCYP2D6
SCHEMBL2909335 0.85 HRH3 (0.43) P4HBLMNAPOLBMAPTSLC6A2
SCHEMBL2904802 0.85 P4HB (0.38) OPRD1P4HBPOLBMAPTMEN1
SCHEMBL2907737 0.84 LMNA (0.33) P4HBLMNAPOLBMAPTKCNH2
SCHEMBL2902613 0.82 PIK3R1 (0.37) P4HBLMNAPOLBMAPTMEN1

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 OPRD1 104/4885P4HB 4026/4885LMNA 3014/4885

“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.