SCHEMBL2677697

SCHEMBL2677697

c1ccc2c(c1)sc1ccc(-c3ccc(C45CCCN(CCC4)C5)cn3)cc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.31
PTGIR P43119 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL2678520 0.80 DKK1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL2678746 0.80 HSD11B1 (0.40)
SCHEMBL2678244 0.79 HSD11B1 (0.41)
SCHEMBL2678642 0.77 KDM1A (0.47) SLC6A3
SCHEMBL4463296 0.77 HSD11B1 (0.40)
Bromide SCHEMBL4471147 0.76 HSD11B1 (0.39)
SCHEMBL4473736 0.76 KDM1A (0.46)
SCHEMBL2678006 0.76 FEN1 (0.38) ALOX5APFEN1
SCHEMBL2678219 0.75 HPGDS (0.43)
Bromide SCHEMBL4469358 0.75 KDM1A (0.45)

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
US-8759343-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI (FR) 2014-06-24 US disclosed
EP-2118104-B1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI SA (FR) 2013-01-02 EP disclosed
US-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI (FR) 2012-08-09 US disclosed
US-8173669-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI-AVENTIS (FR) 2012-05-08 US disclosed
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-02-11 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 (2 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-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 GPR3 1813/4885PTGIR 401/4885ALOX5AP 666/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 GPR3 1813/4885PTGIR 401/4885ALOX5AP 666/4885

“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.