SCHEMBL2128104

SCHEMBL2128104

CNC(=O)C1CC=CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
ESR2 Q92731 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL1515143 0.84
SCHEMBL2533327 0.83
SCHEMBL31299205 0.79 ALDH1A1 (0.53) ALDH1A1MEN1MAPTALOX15HTT
SCHEMBL6965651 0.79 ALDH1A1 (0.53) ALDH1A1MEN1MAPTALOX15HTT
SCHEMBL671223 0.79 ALDH1A1 (0.49) ALDH1A1MEN1MAPTALOX15HTT
SCHEMBL19974223 0.76 KMT2A (0.50) ALDH1A1MEN1MAPTALOX15HTT
SCHEMBL23374501 0.76 HSD17B10 (0.46) ALDH1A1MEN1MAPTALOX15HTT
SCHEMBL2404722 0.76 HSD17B10 (0.46) ALDH1A1MEN1MAPTALOX15HTT
SCHEMBL2536916 0.76 CHRNB2 (0.42) ALDH1A1MEN1KMT2AHSD17B10CHRNB2
SCHEMBL12216938 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004702-A None JP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
US-20120245173-A1 INHIBITION OF ACTIVATED CDC42-ASSOCIATED KINASE 1 Reaction Biology Corporation (US) 2012-09-27 US disclosed
EP-2442809-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2012-04-25 EP disclosed
US-7897796-B2 Treating the taxane mixture (biomass extract derived from Taxus media cultivars) with an amine attached to a silica matrix, e.g., methylated polyethylenimine bonded silica, and elution PHYTON HOLDINGS, LLC (US) 2011-03-01 US disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 WO disclosed
US-20080076936-A1 Purification of Taxanes and Taxane Mixtures Using Polyethyleneimine-Bonded Resins NATURAL PHARMACEUTICALS, INC. 2008-03-27 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
JP-H024702-A INSECT PEST REPELLENT SUMITOMO CHEM CO LTD 1990-01-09 JP 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 (2 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-20120245173-A1 INHIBITION OF ACTIVATED CDC42-ASSOCIATED KINASE 1 TNK2, CDC42BPA, CDC42BPG ALDH1A1 4776/4885MEN1 1557/4885MAPT 2007/4885
US-20080076936-A1 Purification of Taxanes and Taxane Mixtures Using Polyethyleneimine-Bonded Resins PBRM1, PARP1, POLI ALDH1A1 2169/4885MEN1 1803/4885MAPT 697/4885

“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.