SCHEMBL2122045

SCHEMBL2122045

COc1cc(C=CC(=O)N2CCOCC2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 1.00
ACHE P22303 8/20 0.71
KDM4E B2RXH2 2/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
APP P05067 1/20 0.65
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CYP1A2 P05177 1/20 0.64
ALOX5 P09917 1/20 0.64
CYP2D6 P10635 1/20 0.64
NFKB1 P19838 1/20 0.64
HSD11B1 P28845 1/20 0.64
STAT3 P40763 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
NFE2L2 Q16236 1/20 0.64
ALDH1A1 P00352 1/20 0.63
BCHE P06276 1/20 0.63
FGFR1 P11362 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
SCHEMBL2122038 1.00 TRPV1 (1.00) TRPV1ACHEKDM4EKMT2AMEN1
SCHEMBL2123701 0.91 TRPV1 (0.87) TRPV1ACHEKDM4EKMT2ACYP1A2
SCHEMBL5029885 0.91 TRPV1 (0.87) TRPV1ACHEKDM4EKMT2ACYP1A2
SCHEMBL2123698 0.91 TRPV1 (0.87) TRPV1ACHEKDM4EKMT2ACYP1A2
SCHEMBL9364141 0.90 TRPV1 (0.81) TRPV1ACHEKDM4EKMT2AMEN1
SCHEMBL9363901 0.90 TRPV1 (0.81) TRPV1ACHEKDM4EKMT2AMEN1
SCHEMBL17327997 0.88 TRPV1 (0.97) TRPV1ACHEKDM4EKMT2AHPGD
SCHEMBL9029032 0.87 TRPV1 (1.00) TRPV1ACHEKDM4EKMT2AHPGD
SCHEMBL9029039 0.87 TRPV1 (1.00) TRPV1ACHEKDM4EKMT2AHPGD
SCHEMBL30887530 0.87 TRPV1 (1.00) TRPV1ACHEKDM4EKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722665-B2 Cinnamido-pyrrolo[2,1-C][1,4]benzodiazepines as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-13 US disclosed
US-20120095213-A1 CINNAMIDO-PYRROLO[2,1-C][1,4]BENZODIAZEPINES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-04-19 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 (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-20120095213-A1 CINNAMIDO-PYRROLO[2,1-C][1,4]BENZODIAZEPINES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF GABRA1, GABRA4, GABRA5 TRPV1 1460/4885ACHE 3971/4885KDM4E 983/4885

“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.