SCHEMBL25004297

SCHEMBL25004297

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
OPRL1 P41146 3/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
TACR1 P25103 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
CYP2D6 P10635 1/20 0.38
EPHX2 P34913 2/20 0.37
HSD11B1 P28845 1/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL25004295 0.83 RORC (0.41) MAOAMAOBOPRL1OPRM1OPRD1
SCHEMBL23993210 0.81 CYP2D6 (0.59) OPRL1OPRM1OPRD1OPRK1TACR1
SCHEMBL10057649 0.77 OPRL1 (0.60) OPRL1OPRM1OPRD1OPRK1TACR1
SCHEMBL23993224 0.76 MAOA (0.42) MAOAMAOBKDM1AOPRL1OPRM1
SCHEMBL29138933 0.73 MAOA (0.39) MAOAMAOBKDM1AOPRL1OPRM1
SCHEMBL13904145 0.71 CYP2D6 (0.46) OPRL1OPRM1OPRD1OPRK1MMP2
SCHEMBL4077178 0.71 DRD3 (0.41) MAOAMAOBKDM1A
SCHEMBL18334114 0.70 CYP2D6 (0.68) OPRL1OPRM1OPRD1OPRK1TACR1
SCHEMBL28974070 0.69 MAOA (0.41) MAOAMAOBKDM1AOPRL1OPRM1
SCHEMBL20782184 0.66 SMN1; SMN2 (0.58) MAOAMAOBOPRL1OPRM1OPRD1

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 MAOA 1171/4885MAOB 1036/4885KDM1A 2052/4885

“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.