SCHEMBL12466528

SCHEMBL12466528

Clc1c(OCCNCc2ccco2)ccc2cc(Br)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 1/20 0.41
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
CHRM2 P08172 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.37

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
SCHEMBL12466027 0.87 ALDH1A1 (0.41) ALDH1A1HTTLMNASMN1; SMN2HPGD
SCHEMBL11888924 0.85 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HPGDTSHR
SCHEMBL11890076 0.84 NCEH1 (0.45) NCEH1ALDH1A1HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11888948 0.84 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2HPGDTSHR
SCHEMBL14376152 0.72 NCEH1 (0.52) NCEH1ALDH1A1HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL12465902 0.72 NCEH1 (0.49) NCEH1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL11888932 0.71 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HPGDTSHR
SCHEMBL11959228 0.70 HTR6 (0.48) NCEH1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL11889066 0.70 LMNA (0.43) NCEH1ALDH1A1LMNASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL11889140 0.70 HTR6 (0.48) NCEH1ALDH1A1HTTLMNASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668160-B1 TRPM8 RECEPTOR ANTAGONISTS DOMPÉ FARMACEUTICI S P A (IT) 2015-08-12 EP disclosed
US-8906946-B2 TRPM8 receptor antagonists DOMPE' S.P.A. (IT) 2014-12-09 US disclosed
US-20140031398-A1 TRPM8 RECEPTOR ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2014-01-30 US disclosed
EP-2668160-A1 TRPM8 RECEPTOR ANTAGONISTS Dompe' S.p.A. (IT) 2013-12-04 EP disclosed
WO-2012100748-A1 GLP-1 RECEPTOR AGONIST FOR TREATING PAIN WANG YONGXIANG (CN) 2012-08-02 WO disclosed
WO-2012101244-A1 TRPM8 RECEPTOR ANTAGONISTS DOMPE' S.P.A. (IT) 2012-08-02 WO 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-20140031398-A1 TRPM8 RECEPTOR ANTAGONISTS TRPM8, TRPM6, TRPM7 NCEH1 1555/4885ALDH1A1 4725/4885HTT 684/4885

“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.