SCHEMBL2157391

SCHEMBL2157391

COC1CCCn2c(-c3cccnc3)c(Cl)c(C#N)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
CYP11B1 P15538 1/20 0.40
MAOA P21397 1/20 0.40
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 7/20 0.37
RXFP1 Q9HBX9 4/20 0.37
HTT P42858 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
CHRNB1 P11230 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNB3 Q05901 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2158211 0.84 KMT2A (0.40) CYP11B2CYP11B1MAOAKMT2AKDM4E
SCHEMBL7952356 0.84 KMT2A (0.40) CYP11B2CYP11B1MAOAKMT2AKDM4E
SCHEMBL7961100 0.82 DPP4 (0.33) CHRNB4CHRNA3USP30
SCHEMBL7962938 0.81 CYP11B2 (0.36) CYP11B2CYP11B1KMT2AKDM4EHSD17B10
SCHEMBL8328200 0.81 CHRNB1 (0.35) CYP11B2CYP11B1KMT2AKDM4EHSD17B10
SCHEMBL2157354 0.81 MKNK1 (0.39) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7965546 0.81 NR4A2 (0.40) CYP11B2CYP11B1KMT2AKDM4EHTT
SCHEMBL7964338 0.81 CYP11B2 (0.35) CYP11B2CYP11B1CHRNB4CHRNA3
SCHEMBL7964383 0.76 FPR1 (0.39) CYP11B2CYP11B1MAOAKMT2ARXFP1
SCHEMBL8322092 0.76 CHRNB2 (0.41) CYP11B2CYP11B1ALDH1A1CHRNB1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 WO disclosed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 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 (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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 CYP11B2 164/4885CYP11B1 117/4885MAOA 826/4885

“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.