SCHEMBL4877828

SCHEMBL4877828

CC(C)(C)N(C(=O)O)C1(C)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ OPRL1 P41146 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ CYP2D6 P10635 12/20 0.44
▸ CYP2C9 P11712 9/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ HIF1A Q16665 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ USP2 O75604 6/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ TSHR P16473 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL1221050 0.81 CYP3A4 (0.50) CYP3A4KMT2AMEN1OPRD1NPSR1
SCHEMBL9358880 0.76 NPSR1 (0.56) CYP3A4KMT2AMEN1OPRM1OPRD1
SCHEMBL27827700 0.76 CYP3A4 (0.43) CYP3A4KMT2AMEN1OPRM1OPRD1
SCHEMBL71724 0.71 NPSR1 (0.57) CYP3A4KMT2AOPRM1OPRD1OPRK1
SCHEMBL14677513 0.71 CYP3A4 (0.49) CYP3A4KMT2AMEN1OPRM1OPRD1
SCHEMBL10047375 0.70 NPSR1 (0.61) CYP3A4KMT2AMEN1OPRM1OPRD1
SCHEMBL4782320 0.70 CYP3A4 (0.51) CYP3A4KMT2AMEN1OPRM1OPRD1
SCHEMBL10569014 0.70 CYP3A4 (0.54) CYP3A4KMT2AMEN1OPRM1OPRD1
Hydrochloric Acid SCHEMBL2951072 0.70 NPSR1 (0.56) CYP3A4KMT2AOPRM1OPRD1OPRK1
SCHEMBL2196605 0.70 OPRL1 (0.44) CYP3A4KMT2AMEN1OPRM1OPRD1

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-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 — — 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-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones MCHR1, MCHR2, MC1R CYP3A4 390/4885KMT2A 2091/4885MEN1 434/4885

“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.

Send feedback