SCHEMBL1327410

SCHEMBL1327410

COc1ccc(NC(=O)NC2CCC(C(c3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ EPHX1 P07099 3/20 0.58
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CASR P41180 1/20 0.48
▸ KLK7 P49862 2/20 0.48
▸ NPY5R Q15761 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
Hydrochloric Acid SCHEMBL1326699 0.89 EPHX1 (0.55) EPHX2RAB9ANPC1EPHX1MEN1
SCHEMBL1328072 0.87 EPHX1 (0.54) EPHX2RAB9ANPC1EPHX1MEN1
SCHEMBL2308394 0.83 MMP1 (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1326876 0.82 MMP1 (0.46) MEN1KMT2AALDH1A1KLK7NPY5R
SCHEMBL1327327 0.79 EPHX1 (0.58) EPHX2RAB9ANPC1EPHX1MEN1
Hydrochloric Acid SCHEMBL1328262 0.79 RAB9A (0.44) EPHX2RAB9ANPC1EPHX1MEN1
SCHEMBL1327346 0.79 TSHR (0.55) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1171760 0.78 RAB9A (0.67) EPHX2RAB9ANPC1EPHX1MEN1
SCHEMBL28810401 0.77 TSHR (0.48) RAB9AEPHX1KMT2ACYP2C19LMNA
SCHEMBL2359676 0.77 EPHX2 (0.61) EPHX2RAB9AMEN1KMT2AALDH1A1

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-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 — — US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 — — EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 — — US claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 — — US disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 — — 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R EPHX2 2109/4885RAB9A 905/4885NPC1 112/4885

“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.

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