SCHEMBL25004725

SCHEMBL25004725

CC1(C)OB([C@H]2CC2c2ccc(C(F)(F)F)cc2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.45
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM1A O60341 6/20 0.37
MAOB P27338 5/20 0.37
RCOR1 Q9UKL0 1/20 0.36
MAOA P21397 3/20 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
SCHEMBL23994030 1.00 HTR2C (0.45) HTR2CCHRM2CHRM4CHRNB2CHRNB4
SCHEMBL23994065 1.00 HTR2C (0.45) HTR2CCHRM2CHRM4CHRNB2CHRNB4
SCHEMBL23994772 1.00 HTR2C (0.45) HTR2CCHRM2CHRM4CHRNB2CHRNB4
SCHEMBL25005770 0.89 HTR2C (0.43) HTR2CCHRM2CHRM4CHRNB2CHRNB4
SCHEMBL16393865 0.86 SLC6A2 (0.37) HTR2CSLC6A3KDM1AMAOA
SCHEMBL18853849 0.86 SLC6A2 (0.37) HTR2CSLC6A3KDM1AMAOA
SCHEMBL16393864 0.86 SLC6A2 (0.37) HTR2CSLC6A3KDM1AMAOA
SCHEMBL30181776 0.83 HTR2C (0.50) HTR2CCHRM2KDM1ARCOR1
SCHEMBL3752918 0.83 KDM1A (0.43) HTR2CSLC6A3KDM1ARCOR1
SCHEMBL31381542 0.83 KDM1A (0.43) HTR2CSLC6A3KDM1ARCOR1

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 HTR2C 1699/4885CHRM2 2619/4885CHRM4 2468/4885

“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.