SCHEMBL4960764

SCHEMBL4960764

NC[C@@H]1Oc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.47
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
SLC6A4 P31645 1/20 0.34
MAPK14 Q16539 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
FGFR1 P11362 1/20 0.30
SRC P12931 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
SCHEMBL4959837 1.00 AQP1 (0.47) AQP1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL4964730 1.00 AQP1 (0.47) AQP1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL4960551 0.86 AQP1 (0.43) AQP1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL4964637 0.86 AQP1 (0.47) AQP1MAPK14
SCHEMBL4960191 0.83 AQP1 (0.39) AQP1HTR2AHTR2CHTR2BMAPK14
SCHEMBL8220563 0.82 CA2 (0.34) AQP1HTR2AHTR2CHTR2BTAAR1
SCHEMBL4967249 0.81 AQP1 (0.59) AQP1HTR2AHTR2CHTR2B
SCHEMBL4965170 0.81 AQP1 (0.47) AQP1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL5361397 0.81 AQP1 (0.51) AQP1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL5361392 0.81 AQP1 (0.51) AQP1HTR2AHTR2CHTR2BSLC6A4

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 5 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
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US 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 1697/4885HTR2A 7/4885HTR2C 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.