SCHEMBL16546692

SCHEMBL16546692

CC(C)(C)CN1CCC(F)(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM1A O60341 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ OPRL1 P41146 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL16549504 0.82 CHRNA7 (0.44) KDM1ACYP3A4HSD17B10HTR1DHTR1B
SCHEMBL16546664 0.79 OGA (0.43) POLBRORCOPRL1OPRM1
SCHEMBL11266008 0.77 DRD2 (0.37) POLBGAACYP3A4HSD17B10OPRL1
SCHEMBL13036529 0.73 SIGMAR1 (0.69) POLBALDH1A1KMT2A
SCHEMBL8115847 0.72 TACR1 (0.52) GAATSHR
SCHEMBL13656293 0.71 OPRL1 (0.61) POLBOPRL1OPRM1MEN1KMT2A
SCHEMBL5072469 0.71 KCNH2 (0.51) OPRL1OPRM1MEN1KMT2A
SCHEMBL16546694 0.70 CCR1 (0.41) GAARORCOPRL1OPRM1MEN1
SCHEMBL9924111 0.69 NOS3 (0.31) —
SCHEMBL8266263 0.69 MAOA (0.58) RORCMAOBMAOAOPRL1OPRM1

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-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 — — US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 — — 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-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 POLB 3173/4885GAA 766/4885KDM1A 1713/4885

“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