SCHEMBL18609682

SCHEMBL18609682

Cc1cccc([C@H]2CCCCN2C(=O)c2c(C)cccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
GRM5 P41594 3/20 0.46
GPBAR1 Q8TDU6 5/20 0.46
SCD5 Q86SK9 1/20 0.46
ROCK2 O75116 1/20 0.45
TRPC3 Q13507 1/20 0.42
TRPC6 Q9Y210 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
LMNA P02545 1/20 0.41
PREP P48147 1/20 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
SCHEMBL17805431 0.90 GPBAR1 (0.49) RIPK1GPBAR1SCD5TRPC3TRPC6
SCHEMBL18532583 0.90 GPBAR1 (0.49) RIPK1GPBAR1SCD5TRPC3TRPC6
SCHEMBL26006171 0.84 PREP (0.46) RIPK1GRM5GPBAR1LMNAPREP
SCHEMBL24045646 0.81 GPBAR1 (0.42) GPBAR1TRPC3TRPC6LMNAPREP
SCHEMBL22043704 0.81 GPBAR1 (0.42) GPBAR1TRPC3TRPC6LMNAPREP
SCHEMBL30103461 0.81 GPBAR1 (0.42) GPBAR1TRPC3TRPC6LMNAPREP
SCHEMBL17805416 0.80 GPBAR1 (0.41) GPBAR1TRPC3TRPC6PREP
SCHEMBL24016955 0.80 RAB9A (0.41) GPBAR1TRPC3TRPC6PREP
SCHEMBL27341297 0.79 PRMT5 (0.49) RIPK1GRM5SCD5ROCK2TRPC3
SCHEMBL18801701 0.78 SMN1; SMN2 (0.41) GPBAR1LMNAPREP

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-20170065604-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2017-03-09 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-20170065604-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 RIPK1 3510/4885GRM5 824/4885GPBAR1 512/4885

“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.