SCHEMBL2908994

SCHEMBL2908994

COc1ccc(-c2ccc(-n3cc(CN4CCOCC4)c(-c4ccco4)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
KDM4E B2RXH2 8/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 2/20 0.49
KDM5B Q9UGL1 3/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
SLC2A1 P11166 3/20 0.46
HTT P42858 2/20 0.45
SSTR5 P35346 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2905922 0.89 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2903263 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2902226 0.86 SSTR5 (0.49) ALDH1A1KDM4ELMNAGAAKDM5B
SCHEMBL2902823 0.84 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAKDM5BMAPT
SCHEMBL2901673 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2908535 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAGAAKDM5B
SCHEMBL2902611 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2904990 0.83 KDM4E (0.55) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2908986 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2902803 0.79 KDM4E (0.48) ALDH1A1KDM4EMAPTNPC1HTT

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 1336/4885KDM4E 3489/4885LMNA 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.