SCHEMBL3207403

SCHEMBL3207403

NCC1CNc2cc(F)cc(-c3ccc(F)cc3C(F)(F)F)c2O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.40
AR P10275 4/20 0.34
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
IDO1 P14902 2/20 0.32
TRPA1 O75762 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 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
SCHEMBL3195090 1.00 AQP1 (0.40) AQP1ARPDE3BPDE3AIDO1
SCHEMBL3208760 1.00 AQP1 (0.40) AQP1ARPDE3BPDE3AIDO1
SCHEMBL3208796 0.92 AQP1 (0.38) AQP1TRPA1
SCHEMBL3207294 0.92 AQP1 (0.38) AQP1TRPA1
SCHEMBL3216613 0.92 AQP1 (0.38) AQP1TRPA1
SCHEMBL3209871 0.91 AQP1 (0.39) AQP1GAA
SCHEMBL3209724 0.91 AQP1 (0.39) AQP1GAA
SCHEMBL3199609 0.91 AQP1 (0.39) AQP1GAA
SCHEMBL3222278 0.90 AQP1 (0.38) AQP1PDE3BPDE3A
SCHEMBL3207825 0.90 AQP1 (0.38) 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 2125/4885AR 448/4885PDE3B 718/4885

“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.