SCHEMBL960219

SCHEMBL960219

CCC(=O)[C@H](C)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
GAA P10253 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
ACACB O00763 1/20 0.33
MTNR1A P48039 6/20 0.32

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
SCHEMBL12824659 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL11782126 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL31036601 0.80 CYP2D6 (0.37) ALDH1A1MAPTTDP1CYP2C9MME
SCHEMBL5744109 0.80 CYP2C9 (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL17282598 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL13545130 0.78 CAD (0.36) ALDH1A1MAPTSMN1; SMN2TDP1CYP2C9
SCHEMBL17282600 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL14307428 0.78 TRPA1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL22649181 0.78 CYP2C9 (0.37) CYP2C9MMEACECPA1ACE2
SCHEMBL22372624 0.78 MME (0.38) ALDH1A1TSHRCYP2C9ACACBMME

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-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-05 US disclosed
US-20130143251-A1 EXPEDITIOUS SYNTHESIS OF UBIQUITINATED PEPTIDE CONJUGATES BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2013-06-06 US disclosed
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 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 (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-20130143251-A1 EXPEDITIOUS SYNTHESIS OF UBIQUITINATED PEPTIDE CONJUGATES UBQLN1, UBQLN2, NEDD4 ALDH1A1 3382/4885KDM4E 3669/4885MAPT 1755/4885
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R ALDH1A1 4371/4885KDM4E 2070/4885MAPT 4883/4885
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR1A, HTR2C ALDH1A1 3128/4885KDM4E 4171/4885MAPT 3153/4885

“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.