SCHEMBL3218185

SCHEMBL3218185

COc1ccc(-c2cc(F)cc3c2O[C@H](CN)CN3)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.36
HTR1A P08908 1/20 0.34
LIMK1 P53667 2/20 0.33
EPHX2 P34913 3/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP27A1 Q02318 1/20 0.32
CYP24A1 Q07973 1/20 0.32
CRHR1 P34998 3/20 0.32
CYP26A1 O43174 1/20 0.31
MAOB P27338 3/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL3218492 1.00 AQP1 (0.36) AQP1HTR1ALIMK1EPHX2HTR2A
SCHEMBL3220172 1.00 AQP1 (0.36) AQP1HTR1ALIMK1EPHX2HTR2A
SCHEMBL3205840 0.88 AQP1 (0.39) AQP1HTR1AMAOBSLC6A2SLC6A4
SCHEMBL3204608 0.88 AQP1 (0.39) AQP1HTR1AMAOBSLC6A2SLC6A4
SCHEMBL3213649 0.88 AQP1 (0.39) AQP1HTR1AMAOBSLC6A2SLC6A4
SCHEMBL3208760 0.87 AQP1 (0.40) AQP1
SCHEMBL3207403 0.87 AQP1 (0.40) AQP1
SCHEMBL3195090 0.87 AQP1 (0.40) AQP1
SCHEMBL3208774 0.87 PRKAB2 (0.35) HTR1ALIMK1EPHX2HTR2AHTR2C
SCHEMBL3208819 0.87 PRKAB2 (0.35) HTR1ALIMK1EPHX2HTR2AHTR2C

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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US claimed

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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R AQP1 2125/4885HTR1A 4/4885LIMK1 3180/4885

“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.