SCHEMBL4902897

SCHEMBL4902897

COc1ccc(Br)cc1CSc1cc2ccccc2nc1N1CCC(N)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MC4R P32245 5/20 0.38
SMPD3 Q9NY59 2/20 0.37
PDE10A Q9Y233 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.36
DPP4 P27487 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4369319 0.88 GAA (0.43) TSHRSUV39H2KMT2A
SCHEMBL6743413 0.84 CCR4 (0.44) TSHRMC4RKDM4ETDP1
SCHEMBL4362577 0.79 KDM4E (0.39) TSHRMC4RSUV39H2KDM4ETDP1
Hydrochloric Acid SCHEMBL4912058 0.79 KDM4E (0.38) TSHRMC4RSMPD3SUV39H2KDM4E
SCHEMBL6745111 0.76 GAA (0.44) TSHRKMT2A
SCHEMBL4367612 0.76 KDM4E (0.47) TSHRKDM4ETDP1KMT2A
Hydrochloric Acid SCHEMBL4912565 0.76 KDM4E (0.46) TSHRKDM4ETDP1KMT2A
SCHEMBL14027623 0.74 GAA (0.47) TSHRKDM4ETDP1KMT2A
SCHEMBL4820254 0.73 MAPT (0.48) TSHRKDM4ETDP1KMT2A
SCHEMBL4157310 0.73 MAPT (0.41) TSHRKMT2A

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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R TSHR 47/4885MC4R 1/4885SMPD3 3207/4885

“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.