SCHEMBL4179552

SCHEMBL4179552

CC(C)(C)c1ccc(C#CC(=O)NCCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
ESRRG P62508 5/20 0.59
MAPT P10636 1/20 0.49
ESRRB O95718 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 3/20 0.46
CYP2C19 P33261 3/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX12 P18054 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL4181644 0.87 PLAAT3 (0.57) RAB9ANPC1
SCHEMBL4176134 0.86 CA12 (0.53) RAB9ANPC1POLBCYP2C19CYP2C9
SCHEMBL4172828 0.85 RAB9A (0.58) RAB9ANPC1LMNAPOLBCYP2C19
SCHEMBL4174394 0.82 RAB9A (0.58) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL4174442 0.82 ALDH1A1 (0.59) RAB9ANPC1LMNAGAAKMT2A
SCHEMBL4182471 0.80 NPC1 (0.49) RAB9ANPC1MAPTLMNAPOLB
SCHEMBL4164307 0.80 NPC1 (0.55) RAB9ANPC1MAPTCYP2C19CYP2C9
SCHEMBL4178981 0.79 TAAR1 (0.46) RAB9ANPC1MAPTPOLBCYP2C19
SCHEMBL4181887 0.78 POLB (0.53) RAB9ANPC1MAPTLMNAPOLB
SCHEMBL4185839 0.78 CDK4 (0.66) RAB9ANPC1MAPTLMNACYP2C19

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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US claimed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US disclosed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS FHIT, CYP3A43, DNPEP RAB9A 4846/4885NPC1 2016/4885ESRRG 1064/4885

“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.