SCHEMBL25004295

SCHEMBL25004295

CC(C)N1CCC(F)(c2ccc(F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
CYP2D6 P10635 4/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL23993210 0.85 CYP2D6 (0.59) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL25004297 0.83 MAOA (0.42) RORCCYP2D6OPRM1OPRD1OPRK1
SCHEMBL18334113 0.76 CYP2D6 (0.47) RORCCYP2D6OPRM1OPRD1OPRK1
SCHEMBL10057646 0.75 OPRM1 (0.63) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL13904145 0.75 CYP2D6 (0.46) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL18334114 0.74 CYP2D6 (0.68) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL12167362 0.73 CYP2D6 (0.45) RORCCYP2D6OPRM1OPRD1OPRK1
SCHEMBL15715779 0.73 OPRM1 (0.48) OPRM1MAOBMAOASLC6A4SLC6A3
SCHEMBL10057658 0.72 OPRM1 (0.51) RORCCYP2D6OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7406286 0.70 CYP2D6 (0.41) RORCCYP2D6OPRM1OPRD1OPRK1

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E RORC 1172/4885CYP2D6 1872/4885OPRM1 2621/4885

“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.