SCHEMBL4967249

SCHEMBL4967249

NCC1Oc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.59
DPP4 P27487 10/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
DPP8 Q6V1X1 4/20 0.33
FADS1 O60427 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL4965170 0.90 AQP1 (0.47) AQP1KDM4EHTR2AHTR2CHTR2B
SCHEMBL6105035 0.88 AQP1 (0.47) AQP1DPP4KDM4EHTR2AHTR2C
SCHEMBL4960551 0.86 AQP1 (0.43) AQP1DPP4TP53SMN1; SMN2HTR2A
SCHEMBL4960260 0.84 AQP1 (0.41) AQP1HTR2AHTR2CHTR2B
SCHEMBL8225498 0.81 AQP1 (0.43) AQP1DPP4NPC1RAB9ASMN1; SMN2
SCHEMBL4960764 0.81 AQP1 (0.47) AQP1HTR2AHTR2CHTR2B
SCHEMBL4964730 0.81 AQP1 (0.47) AQP1HTR2AHTR2CHTR2B
SCHEMBL4959837 0.81 AQP1 (0.47) AQP1HTR2AHTR2CHTR2B
SCHEMBL4960191 0.81 AQP1 (0.39) AQP1HTR2AHTR2CHTR2B
SCHEMBL8228610 0.80 AQP1 (0.67) AQP1DPP4KDM4ENPC1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A AQP1 1697/4885DPP4 4254/4885KDM4E 2229/4885

“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.