SCHEMBL3207355

SCHEMBL3207355

N#Cc1cc(F)ccc1-c1cc(F)cc2c1O[C@@H](CN)CN2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.39
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
KLKB1 P03952 1/20 0.30

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
SCHEMBL3207048 1.00 AQP1 (0.39) AQP1PRMT5WDR77GSK3AGSK3B
SCHEMBL3216292 1.00 AQP1 (0.39) AQP1PRMT5WDR77GSK3AGSK3B
SCHEMBL3195075 0.88 HTR1A (0.35) AQP1PRMT5WDR77GSK3AGSK3B
SCHEMBL3209927 0.88 HTR1A (0.35) AQP1PRMT5WDR77GSK3AGSK3B
SCHEMBL3218181 0.88 HTR1A (0.35) AQP1PRMT5WDR77GSK3AGSK3B
SCHEMBL3207403 0.81 AQP1 (0.40) AQP1
SCHEMBL3195090 0.81 AQP1 (0.40) AQP1
SCHEMBL3208760 0.81 AQP1 (0.40) AQP1
SCHEMBL3207294 0.80 AQP1 (0.38) AQP1
SCHEMBL3216613 0.80 AQP1 (0.38) AQP1

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 2125/4885PRMT5 2298/4885WDR77 3901/4885

“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.