SCHEMBL2908848

SCHEMBL2908848

OC1CCN(C(c2ccc(-c3cccc(F)c3)cc2)c2c[nH]nc2-c2ccco2)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 2/20 0.34
MAPT P10636 1/20 0.33
KDM4D Q6B0I6 2/20 0.32
LMNA P02545 2/20 0.32
GSK3B P49841 1/20 0.31
MAPK14 Q16539 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL2907737 0.92 LMNA (0.33) PIK3R1PIK3CAMAPTKDM4DLMNA
SCHEMBL2908342 0.86 ITGB2 (0.38) MAPTKDM4DMCL1
SCHEMBL2901677 0.85 MAPT (0.39) MAPTMCL1
SCHEMBL2903067 0.85 OPRD1 (0.37) PIK3R1PIK3CA
SCHEMBL2902613 0.85 PIK3R1 (0.37) LRRK2PIK3R1PIK3CAMAPTLMNA
SCHEMBL2907788 0.85 LMNA (0.37) MAPTLMNA
SCHEMBL2910374 0.83 ALDH1A1 (0.41) PIK3R1PIK3CAMAPTLMNAMCL1
Morpholine SCHEMBL2905731 0.82 OPRD1 (0.35) LRRK2PIK3R1PIK3CAMAPTLMNA
SCHEMBL2902357 0.81 HRH3 (0.37) PIK3R1PIK3CAMAPTLMNA
SCHEMBL2904791 0.79 CYP3A4 (0.42) LMNA

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 LRRK2 994/4885PIK3R1 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.