SCHEMBL17435334

SCHEMBL17435334

CC1CCC(C#N)(C(C)C)C(C)(c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.34
▸ OPRL1 P41146 2/20 0.32
▸ OPRD1 P41143 1/20 0.32

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
SCHEMBL13450003 0.71 OPRM1 (0.49) OPRL1OPRD1
SCHEMBL908952 0.66 CYP2D6 (0.37) CCR2
SCHEMBL4639317 0.65 NPSR1 (0.38) CCR2
SCHEMBL10732836 0.65 CYP2D6 (0.36) CCR2
SCHEMBL8107113 0.63 OPRL1 (0.46) CCR2OPRL1OPRD1
SCHEMBL4811682 0.61 MAOB (0.38) —
SCHEMBL28311498 0.61 OPRL1 (0.32) OPRL1
SCHEMBL7951118 0.61 OPRL1 (0.51) OPRL1OPRD1
SCHEMBL7951120 0.61 OPRL1 (0.51) OPRL1OPRD1
SCHEMBL8112548 0.61 OPRL1 (0.36) OPRL1

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-9610234-B2 Combinations of alkylamidothiazoles and preservatives BEIERSDORF AG (DE) 2017-04-04 — — US disclosed
US-20160015615-A1 COMBINATIONS OF ALKYLAMIDOTHIAZOLES AND PRESERVATIVES BEIERSDORF AG (DE) 2016-01-21 — — 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-20160015615-A1 COMBINATIONS OF ALKYLAMIDOTHIAZOLES AND PRESERVATIVES AADAC, TYR, NAT1 CCR2 4304/4885OPRL1 4264/4885OPRD1 4258/4885

“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