SCHEMBL3211367

SCHEMBL3211367

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.49
HTR1A P08908 2/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAOB P27338 3/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A4 P31645 5/20 0.32
SLC6A3 Q01959 4/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
MAPK14 Q16539 1/20 0.31
CRHR1 P34998 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
SCHEMBL4804510 1.00 AQP1 (0.49) AQP1HTR1AHSP90AA1HSP90AB1MAOB
SCHEMBL3207566 1.00 AQP1 (0.49) AQP1HTR1AHSP90AA1HSP90AB1MAOB
SCHEMBL3213649 0.89 AQP1 (0.39) AQP1HTR1AMAOBSLC6A2SLC6A4
SCHEMBL3204608 0.89 AQP1 (0.39) AQP1HTR1AMAOBSLC6A2SLC6A4
SCHEMBL3205840 0.89 AQP1 (0.39) AQP1HTR1AMAOBSLC6A2SLC6A4
SCHEMBL3216316 0.87 AQP1 (0.39) AQP1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3215986 0.87 AQP1 (0.39) AQP1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3216433 0.87 AQP1 (0.39) AQP1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3208352 0.86 AQP1 (0.66) AQP1MAPK14
SCHEMBL3208259 0.86 AQP1 (0.66) AQP1MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US claimed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R AQP1 2125/4885HTR1A 4/4885HSP90AA1 3444/4885

“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.