SCHEMBL3944251

SCHEMBL3944251

CC(C)Oc1ccc(I)cc1C(=O)NC(CC#N)Cc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.45
CTSC P53634 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ECE1 P42892 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
ITGB2 P05107 4/20 0.42
ICAM1 P05362 4/20 0.42
ITGAL P20701 4/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
TACR1 P25103 1/20 0.41
APAF1 O14727 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4194616 0.97 CTSL (0.45) CTSLCTSCMEN1KMT2ACTSS
SCHEMBL3939262 0.89 MEN1 (0.46) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL4041042 0.87 CTSL (0.42) CTSLCTSCCTSSCTSKECE1
SCHEMBL13905416 0.86 KMT2A (0.52) CTSLCTSCMEN1KMT2AKDM4E
SCHEMBL4169038 0.86 ITGB2 (0.45) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL13914323 0.85 CTSL (0.46) CTSLCTSCMEN1KMT2ACTSS
SCHEMBL13914332 0.85 HPGDS (0.47) CTSLCTSCMEN1KMT2ACTSS
SCHEMBL4041218 0.84 CTSL (0.44) CTSLCTSCMEN1KMT2ACTSS
SCHEMBL3941490 0.84 CTSL (0.42) CTSLCTSCMEN1KMT2ACTSS
SCHEMBL3937917 0.84 ITGB2 (0.46) CTSLCTSCMEN1KMT2ACTSS

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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO claimed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP claimed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP 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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT CTSL 384/4885CTSC 686/4885MEN1 131/4885

“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.