SCHEMBL10031241

SCHEMBL10031241

CC(C)C(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 9/20 0.74
OPRM1 P35372 2/20 0.71
CCR1 P32246 7/20 0.56
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL10064332 0.88 KCNA3 (0.78) KCNA3OPRM1CCR1RAB9ANPSR1
Difenoxin SCHEMBL123801 0.88 KCNA3 (0.78) KCNA3OPRM1CCR1RAB9ANPSR1
Difenoxin SCHEMBL11604884 0.86 KCNA3 (0.76) KCNA3OPRM1CCR1RAB9ANPSR1
Difenoxin SCHEMBL149008 0.86 KCNA3 (0.76) KCNA3OPRM1CCR1RAB9ANPSR1
SCHEMBL10065583 0.86 KCNA3 (0.76) KCNA3OPRM1CCR1RAB9ANPSR1
SCHEMBL11604250 0.84 KCNA3 (0.84) KCNA3OPRM1CCR1RAB9ANPSR1
Hydrochloric Acid SCHEMBL11604880 0.84 KCNA3 (0.73) KCNA3OPRM1CCR1RAB9ANPSR1
Diphenoxylate SCHEMBL42940 0.83 OPRM1 (1.00) KCNA3OPRM1
Diphenoxylate SCHEMBL20595320 0.82 OPRM1 (0.98) KCNA3OPRM1
Diphenoxylate SCHEMBL42124 0.82 OPRM1 (0.98) KCNA3OPRM1

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-20120046272-A1 Novel Therapeutic Compounds GRUNENTHAL GMBH (DE) 2012-02-23 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-20120046272-A1 Novel Therapeutic Compounds OPRL1, OPRK1, OPRM1 KCNA3 1326/4885OPRM1 3/4885CCR1 336/4885

“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.