SCHEMBL3217849

SCHEMBL3217849

CN1C[C@@H](CN)Oc2c(-c3cc(Cl)ccc3Cl)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.38
NISCH Q9Y2I1 2/20 0.34
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 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
SCHEMBL3211637 1.00 AQP1 (0.38) AQP1NISCHHTR2CHTR2AHTR2B
SCHEMBL3196324 1.00 AQP1 (0.38) AQP1NISCHHTR2CHTR2AHTR2B
SCHEMBL3220775 0.91 AQP1 (0.48) AQP1NISCHHTR2CHTR2AHTR2B
SCHEMBL3203345 0.91 AQP1 (0.48) AQP1NISCHHTR2CHTR2AHTR2B
SCHEMBL3220402 0.91 AQP1 (0.48) AQP1NISCHHTR2CHTR2AHTR2B
SCHEMBL3205193 0.88 AQP1 (0.38) AQP1NISCHHTR2CHTR2AHTR2B
SCHEMBL3207343 0.88 AQP1 (0.38) AQP1NISCHHTR2CHTR2AHTR2B
SCHEMBL3215839 0.88 AQP1 (0.38) AQP1NISCHHTR2CHTR2AHTR2B
SCHEMBL3205683 0.88 NISCH (0.36) AQP1NISCHPRKAB2PRKAG1PRKAA2
SCHEMBL3205941 0.88 NISCH (0.36) AQP1NISCHPRKAB2PRKAG1PRKAA2

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 2125/4885NISCH 1472/4885HTR2C 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.