SCHEMBL3199334

SCHEMBL3199334

NC[C@H]1CNc2cc(F)cc(-c3c(Cl)cc(F)cc3Cl)c2O1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.44
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL3207621 1.00 AQP1 (0.44) AQP1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL3213722 1.00 AQP1 (0.44) AQP1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL3214385 0.96 AQP1 (0.48) AQP1
SCHEMBL3207024 0.93 AQP1 (0.41) AQP1
SCHEMBL3207652 0.93 AQP1 (0.41) AQP1
SCHEMBL3208439 0.93 AQP1 (0.41) AQP1
SCHEMBL3217895 0.91 AQP1 (0.50) AQP1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL3216475 0.91 AQP1 (0.50) AQP1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL3217889 0.91 AQP1 (0.50) AQP1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL3220150 0.91 AQP1 (0.39) 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 2125/4885HTR2A 5/4885HTR2C 1/4885

“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.