SCHEMBL6367685

SCHEMBL6367685

Cc1cc2c(c(-c3ccc(Cl)cc3Cl)c1)OC(CN(Cc1ccccc1)C(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.46
OXTR P30559 4/20 0.38
AVPR1A P37288 4/20 0.38
POLB P06746 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 1/20 0.37
KIF11 P52732 1/20 0.36
THRB P10828 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GHSR Q92847 3/20 0.35

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
SCHEMBL6368238 0.91 AQP1 (0.47) AQP1OXTRAVPR1ATMEM97SIGMAR1
SCHEMBL4233789 0.87 AQP1 (0.43) AQP1OXTRAVPR1ATMEM97SIGMAR1
SCHEMBL4596351 0.87 AQP1 (0.45) AQP1OXTRAVPR1APOLBMAPT
SCHEMBL4595340 0.84 SIRT2 (0.36) AQP1TMEM97SIGMAR1TP53MAPT
SCHEMBL6367692 0.83 OXTR (0.41) OXTRAVPR1ATP53MAPTGHSR
SCHEMBL4231349 0.82 OXTR (0.38) OXTRAVPR1ATMEM97SIGMAR1GHSR
SCHEMBL4596313 0.81 S1PR2 (0.38) AQP1OXTRAVPR1AMAPTMEN1
SCHEMBL6367411 0.81 OXTR (0.43) OXTRAVPR1AMAPTMEN1KMT2A
SCHEMBL4596108 0.81 AQP1 (0.51) AQP1
SCHEMBL6367387 0.81 PDK1 (0.40) OXTRAVPR1ATMEM97SIGMAR1GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 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-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885OXTR 186/4885AVPR1A 28/4885

“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.