SCHEMBL15043883

SCHEMBL15043883

CC(=O)c1cnc(Cl)c(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
PTGER1 P34995 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LRRK2 Q5S007 1/20 0.46
BRD4 O60885 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOA P21397 2/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL31132733 0.89 HPGD (0.55) MRGPRX4PTGER1SMN1; SMN2HPGDNPC1
SCHEMBL31133124 0.89 HPGD (0.55) MRGPRX4PTGER1SMN1; SMN2HPGDNPC1
SCHEMBL16319378 0.86 HPGD (0.56) MRGPRX4PTGER1SMN1; SMN2HPGDNPC1
SCHEMBL14332920 0.84 PPIA (0.52) MAOBMRGPRX4SMN1; SMN2HPGDNPC1
SCHEMBL2716048 0.79 ALDH1A1 (0.54) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL2343079 0.78 MAOB (0.59) MAOBSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL3123036 0.78 MAOB (0.64) MAOBMRGPRX4SMN1; SMN2HPGDNPC1
SCHEMBL22332620 0.78 GCK (0.51) MRGPRX4SMN1; SMN2NPC1RAB9ALRRK2
SCHEMBL8768763 0.77 MRGPRX4 (0.78) MAOBMRGPRX4SMN1; SMN2HPGDNPC1
SCHEMBL16319383 0.77 NPC1 (0.48) MRGPRX4PTGER1SMN1; SMN2HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (3 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-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 MAOB 1922/4885MRGPRX4 144/4885PTGER1 166/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 MAOB 1922/4885MRGPRX4 144/4885PTGER1 166/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 MAOB 1922/4885MRGPRX4 144/4885PTGER1 166/4885

“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.