SCHEMBL13612640

SCHEMBL13612640

CCC(=O)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.72
POLB P06746 3/20 0.69
NPSR1 Q6W5P4 2/20 0.69
HTT P42858 1/20 0.65
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GLA P06280 1/20 0.63
PKM P14618 1/20 0.62

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
SCHEMBL16026437 0.87 ALDH1A1 (0.83) ALDH1A1POLBNPSR1HTTCYP2C9
SCHEMBL7382064 0.86 ALDH1A1 (0.73) ALDH1A1POLBNPSR1HTTCYP2C9
SCHEMBL14350981 0.84 NPSR1 (0.69) ALDH1A1POLBNPSR1HTTKMT2A
SCHEMBL1372147 0.82 CYP1A2 (0.75) ALDH1A1POLBNPSR1HTTLMNA
SCHEMBL13804475 0.82 ALDH1A1 (0.71) ALDH1A1POLBNPSR1HTTLMNA
SCHEMBL6174421 0.82 ALDH1A1 (0.72) ALDH1A1POLBNPSR1HTTCYP2C9
SCHEMBL12846701 0.82 HTT (0.71) ALDH1A1POLBNPSR1HTTKMT2A
SCHEMBL13093048 0.81 ALDH1A1 (0.67) ALDH1A1POLBNPSR1HTTCYP2C9
SCHEMBL1372144 0.80 ALDH1A1 (0.73) ALDH1A1POLBNPSR1HTTCYP2C9
SCHEMBL3099181 0.80 ALDH1A1 (0.73) ALDH1A1POLBNPSR1HTTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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 (6 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-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885POLB 3963/4885NPSR1 417/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALDH1A1 1148/4885POLB 2951/4885NPSR1 3720/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885POLB 3963/4885NPSR1 417/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885POLB 3963/4885NPSR1 417/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885POLB 3963/4885NPSR1 417/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885POLB 3963/4885NPSR1 417/4885

“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.