SCHEMBL3106237

SCHEMBL3106237

O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.62
RHOA P61586 1/20 0.62
EP300 Q09472 6/20 0.58
CREBBP Q92793 6/20 0.58
HTT P42858 3/20 0.57
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
SCN3A Q9NY46 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL3106245 1.00 RHOC (0.62) RHOCRHOAEP300CREBBPHTT
SCHEMBL4799610 0.87 ALDH1A1 (0.64) EP300CREBBPHTTCYP2C9CYP2C19
SCHEMBL4799596 0.87 ALDH1A1 (0.64) EP300CREBBPHTTCYP2C9CYP2C19
SCHEMBL2442864 0.86 HTT (0.54) RHOCRHOAEP300CREBBPHTT
SCHEMBL38658435 0.85 LMNA (0.61) HTTCYP2C9CYP2C19L3MBTL1POLB
SCHEMBL4742813 0.82 ALDH1A1 (0.60) HTTCYP2C9CYP2C19RAB9APOLB
SCHEMBL16495812 0.82 CYP2C9 (0.51) RHOCRHOAEP300CREBBPHTT
SCHEMBL4978089 0.82 ALDH1A1 (0.67) EP300CREBBPHTTCYP2C9CYP2C19
SCHEMBL7974108 0.82 DPP4 (0.53) EP300CREBBPHTTCYP2C9CYP2C19
SCHEMBL4096438 0.82 HTT (0.67) RHOCRHOAEP300CREBBPHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX RHOC 3122/4885RHOA 2693/4885EP300 1026/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB RHOC 2392/4885RHOA 1393/4885EP300 1061/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX RHOC 3122/4885RHOA 2693/4885EP300 1026/4885

“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.