SCHEMBL2907737

SCHEMBL2907737

OC1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2c[nH]nc2-c2ccco2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
GSK3B P49841 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KDM4D Q6B0I6 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
P4HB P07237 2/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
KCNH2 Q12809 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 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
SCHEMBL2908848 0.92 LRRK2 (0.36) LMNAGSK3BMAPK14MAPTKDM4D
SCHEMBL2901677 0.89 MAPT (0.39) MAPTPOLBALDH1A1TSHRHTT
SCHEMBL2907788 0.88 LMNA (0.37) LMNAMAPTALDH1A1TSHRHTT
SCHEMBL2908342 0.87 ITGB2 (0.38) MAPTPOLBALDH1A1TSHRKDM4D
SCHEMBL2903266 0.84 P4HB (0.41) LMNAMAPTPOLBALDH1A1HTT
SCHEMBL2904844 0.84 OPRD1 (0.40) LMNAMAPTPOLBP4HBPIK3R1
SCHEMBL2905980 0.81 ALDH1A1 (0.42) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL2909335 0.80 HRH3 (0.43) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL2902713 0.77 CYP3A4 (0.42) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL2902613 0.76 PIK3R1 (0.37) LMNAMAPTPOLBALDH1A1HTT

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 LMNA 3014/4885GSK3B 3332/4885MAPK14 2845/4885

“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.