SCHEMBL3208352

SCHEMBL3208352

NCC1CNc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.66
DPP4 P27487 4/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
DPP8 Q6V1X1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
GCGR P47871 1/20 0.30
MAPK14 Q16539 1/20 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
SCHEMBL3208259 1.00 AQP1 (0.66) AQP1DPP4HTR2AHTR2CHTR2B
SCHEMBL3216474 1.00 AQP1 (0.66) AQP1DPP4HTR2AHTR2CHTR2B
SCHEMBL3213474 0.91 AQP1 (0.54) AQP1HTR2AHTR2CHTR2B
SCHEMBL3218169 0.91 AQP1 (0.54) AQP1HTR2AHTR2CHTR2B
SCHEMBL3211859 0.91 AQP1 (0.54) AQP1HTR2AHTR2CHTR2B
SCHEMBL3205109 0.90 AQP1 (0.53) AQP1HTR2AHTR2CHTR2B
SCHEMBL3207361 0.90 AQP1 (0.53) AQP1HTR2AHTR2CHTR2B
SCHEMBL3213177 0.90 AQP1 (0.53) AQP1HTR2AHTR2CHTR2B
SCHEMBL3199421 0.87 AQP1 (0.49) AQP1DPP4HTR2AHTR2CHTR2B
SCHEMBL3207281 0.87 AQP1 (0.49) AQP1DPP4HTR2AHTR2CHTR2B

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 2125/4885DPP4 2467/4885HTR2A 5/4885

“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.