SCHEMBL557041

SCHEMBL557041

CC(=O)C#Cc1ccccc1CCN(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.37
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CDK2 P24941 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL556505 0.82 KDM4E (0.37) FFAR1CDK4CCND1CDK2KMT2A
SCHEMBL555819 0.74 MTNR1A (0.54) KMT2AKDM4EMTNR1AMTNR1B
SCHEMBL16333188 0.73 HTR1A (0.54) CDK4CCND1CDK2KMT2ANPC1
SCHEMBL27730951 0.72 TAAR1 (0.44) CDK4CCND1CDK2KMT2AKDM4E
SCHEMBL555604 0.72 TAAR1 (0.62) FFAR1CDK4CCND1KMT2AKDM4E
SCHEMBL18422574 0.72 TAAR1 (0.62) CDK4CCND1KMT2AALDH1A1NPC1
SCHEMBL27759121 0.72 SIGMAR1 (0.47) CDK4CCND1CDK2KMT2AKDM4E
SCHEMBL23925502 0.70 AOC3 (0.61) CDK4CCND1KMT2AKDM4EALDH1A1
SCHEMBL8751582 0.70 HCRTR1 (0.54) KMT2AKDM4EMTNR1AMTNR1B
SCHEMBL1520363 0.69 KMT2A (0.59) KMT2ANPC1RAB9ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 FFAR1 1735/4885CDK4 998/4885CCND1 3483/4885

“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.