SCHEMBL2909330

SCHEMBL2909330

CN1CCCN(Cc2cn(-c3ccc(-c4ccc(F)cc4)cc3)nc2-c2ccco2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 6/20 0.48
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
CHKA P35790 4/20 0.41
MEN1 O00255 1/20 0.41
SSTR5 P35346 1/20 0.40
USP7 Q93009 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL2902353 0.92 ALDH1A1 (0.56) ALDH1A1MAPK1POLBNPSR1L3MBTL1
SCHEMBL2902223 0.86 ALDH1A1 (0.54) ALDH1A1MAPK1POLBNPSR1L3MBTL1
SCHEMBL2903263 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1POLBNPSR1L3MBTL1
SCHEMBL2904839 0.84 NPSR1 (0.52) ALDH1A1MAPK1POLBNPSR1L3MBTL1
SCHEMBL2904604 0.84 ALDH1A1 (0.45) ALDH1A1MAPK1POLBNPSR1L3MBTL1
SCHEMBL2904805 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1POLBNPSR1L3MBTL1
SCHEMBL2905976 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1POLBNPSR1L3MBTL1
SCHEMBL2907697 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1POLBNPSR1L3MBTL1
SCHEMBL2902711 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1POLBNPSR1L3MBTL1
SCHEMBL2907733 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1POLBNPSR1L3MBTL1

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 ALDH1A1 1336/4885MAPK1 1286/4885POLB 3733/4885

“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.