SCHEMBL3216433

SCHEMBL3216433

COc1cc(Cl)c(-c2cc(F)cc3c2O[C@@H](CN)CN3)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.39
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
HTR1A P08908 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL3216316 1.00 AQP1 (0.39) AQP1HTR2AHTR2CHTR2BHTR1A
SCHEMBL3215986 1.00 AQP1 (0.39) AQP1HTR2AHTR2CHTR2BHTR1A
SCHEMBL3199334 0.90 AQP1 (0.44) AQP1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL3207621 0.90 AQP1 (0.44) AQP1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL3213722 0.90 AQP1 (0.44) AQP1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL3207423 0.89 AQP1 (0.33) AQP1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3213199 0.89 AQP1 (0.33) AQP1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3204611 0.89 AQP1 (0.33) AQP1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3214385 0.89 AQP1 (0.48) AQP1
SCHEMBL3208439 0.88 AQP1 (0.41) 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.