SCHEMBL3196305

SCHEMBL3196305

NCC1CNc2cccc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.50
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CRHR1 P34998 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
DPP4 P27487 5/20 0.33
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL3199368 1.00 AQP1 (0.50) AQP1HTR2AHTR2CHTR2BCRHR1
SCHEMBL3220781 1.00 AQP1 (0.50) AQP1HTR2AHTR2CHTR2BCRHR1
SCHEMBL3209099 0.90 AQP1 (0.40) AQP1HTR2AHTR2CHTR2BBRD4
SCHEMBL3203037 0.90 AQP1 (0.40) AQP1HTR2AHTR2CHTR2BBRD4
SCHEMBL3210782 0.90 AQP1 (0.40) AQP1HTR2AHTR2CHTR2BBRD4
SCHEMBL3208416 0.89 AQP1 (0.39) AQP1HTR2AHTR2CHTR2BBRD4
SCHEMBL3207362 0.89 AQP1 (0.39) AQP1HTR2AHTR2CHTR2BBRD4
SCHEMBL3213931 0.89 AQP1 (0.39) AQP1HTR2AHTR2CHTR2BBRD4
SCHEMBL3199525 0.88 AQP1 (0.39) AQP1HTR2AHTR2CHTR2BPRKAB2
SCHEMBL3210939 0.88 AQP1 (0.39) AQP1HTR2AHTR2CHTR2BPRKAB2

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 4 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
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO claimed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO 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.