SCHEMBL15965833

SCHEMBL15965833

Cc1ccc(C[C@@H](N)C(=O)C2C[C@H](OCc3ccccc3)C[C@@H]2CCn2cnnc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.36
MC3R P41968 2/20 0.36
MC1R Q01726 2/20 0.36
AGTR2 P50052 2/20 0.33
DPP4 P27487 4/20 0.33
FAP Q12884 3/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
DPP7 Q9UHL4 3/20 0.33
TYR P14679 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPY1R P25929 1/20 0.32
MAOB P27338 1/20 0.32
ADORA2A P29274 1/20 0.32
RECQL P46063 1/20 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
SCHEMBL15964220 0.90 ALDH1A1 (0.38) MC4RMC3RMC1RKDM4EALDH1A1
SCHEMBL15693296 0.80 MC4R (0.55) MC4RMC3RMC1RDPP4FAP
SCHEMBL13835262 0.71 MC4R (0.55) MC4RMC3RMC1RAGTR2DPP4
SCHEMBL13964474 0.71 MC4R (0.52) MC4RMC3RMC1RDPP4FAP
SCHEMBL14599837 0.65 ALDH1A1 (0.53) KDM4EALDH1A1MAPTNPY1RMAOB
SCHEMBL13534747 0.65 ALDH1A1 (0.53) KDM4EALDH1A1MAPTNPY1RMAOB
SCHEMBL12017809 0.63 ALDH1A1 (0.49) AGTR2ALDH1A1MAOBACACB
SCHEMBL26919961 0.63 AGTR2 (0.48) AGTR2DPP4ALDH1A1GRM2GRM3
SCHEMBL7261788 0.62 CPB1 (0.53) AGTR2ALDH1A1
SCHEMBL21570613 0.62 CPB1 (0.53) AGTR2ALDH1A1

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-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 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-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT MC4R 497/4885MC3R 379/4885MC1R 119/4885

“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.