SCHEMBL2380119

SCHEMBL2380119

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CC1CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HCRTR1 O43613 1/20 0.57
OPRL1 P41146 4/20 0.54
OPRM1 P35372 3/20 0.54
MAPT P10636 2/20 0.52
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNA5 P22460 1/20 0.47
KCNH2 Q12809 1/20 0.47
TACR1 P25103 1/20 0.47

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
SCHEMBL2378945 1.00 KMT2A (0.57) KMT2AMEN1HCRTR1OPRL1OPRM1
SCHEMBL2378906 0.99 KMT2A (0.56) KMT2AMEN1HCRTR1OPRL1OPRM1
Hydrochloric Acid SCHEMBL302554 0.99 KMT2A (0.56) KMT2AMEN1HCRTR1OPRL1OPRM1
Potassium SCHEMBL2378910 0.99 KMT2A (0.56) KMT2AMEN1HCRTR1OPRL1OPRM1
Hydrochloric Acid SCHEMBL2378939 0.99 KMT2A (0.56) KMT2AMEN1HCRTR1OPRL1OPRM1
SCHEMBL3369086 0.93 OPRL1 (0.56) KMT2AMEN1OPRL1OPRM1MAPT
Potassium Ion SCHEMBL2379644 0.90 OPRL1 (0.53) KMT2AMEN1HCRTR1OPRL1OPRM1
SCHEMBL2380008 0.88 OPRL1 (0.56) OPRL1OPRM1MAPTTACR1
SCHEMBL302945 0.88 OPRL1 (0.55) KMT2AOPRL1OPRM1MAPTTP53
Hydrochloric Acid SCHEMBL2379180 0.88 OPRL1 (0.56) OPRL1OPRM1MAPTTACR1

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
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 US claimed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP claimed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 US disclosed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP disclosed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 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-20070129347-A1 Cyclohexylacetic acid compounds ACACA, HCAR2, PCCA KMT2A 2621/4885MEN1 2416/4885HCRTR1 665/4885

“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.