SCHEMBL1968430

SCHEMBL1968430

CC(C)(C)N[C@@H]1CN(C(=O)O)C[C@H]1c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 19/20 0.44
MC5R P33032 8/20 0.42
MC3R P41968 7/20 0.42
MC1R Q01726 6/20 0.42
KCNH2 Q12809 4/20 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
SCHEMBL1968975 0.89 TACR1 (0.40) MC4R
SCHEMBL1968860 0.82 TLR2 (0.43)
SCHEMBL1971299 0.82 TLR2 (0.43)
SCHEMBL1969992 0.79 TACR1 (0.44)
SCHEMBL1974159 0.79 KDM1A (0.40)
SCHEMBL1972089 0.77 TACR2 (0.37)
SCHEMBL3171390 0.77 MC4R (0.46) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL15397516 0.77 DPP4 (0.45) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL15397517 0.75 FPR1 (0.48) MC4R
SCHEMBL18315842 0.75 RORC (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B MC4R 117/4885MC5R 66/4885MC3R 46/4885

“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.