SCHEMBL3222278

SCHEMBL3222278

Cc1ccc(-c2cc(F)cc3c2O[C@@H](CN)CN3)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.38
PDE3B Q13370 10/20 0.35
PDE3A Q14432 10/20 0.35
SYK P43405 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
SCHEMBL3207825 1.00 AQP1 (0.38) AQP1PDE3BPDE3ASYK
SCHEMBL3218180 1.00 AQP1 (0.38) AQP1PDE3BPDE3ASYK
SCHEMBL3208760 0.90 AQP1 (0.40) AQP1PDE3BPDE3A
SCHEMBL3207403 0.90 AQP1 (0.40) AQP1PDE3BPDE3A
SCHEMBL3195090 0.90 AQP1 (0.40) AQP1PDE3BPDE3A
SCHEMBL3199609 0.88 AQP1 (0.39) AQP1
SCHEMBL3209724 0.88 AQP1 (0.39) AQP1
SCHEMBL3209871 0.88 AQP1 (0.39) AQP1
SCHEMBL3205382 0.87 AQP1 (0.50) AQP1PDE3BPDE3A
SCHEMBL3205155 0.87 AQP1 (0.50) AQP1PDE3BPDE3A

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 2125/4885PDE3B 718/4885PDE3A 717/4885

“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.