SCHEMBL2677211

SCHEMBL2677211

Cn1cc(-c2ccc(C34CCCN(CCC3)C4)cn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CHEK1 O14757 1/20 0.40
FYN P06241 3/20 0.38
MAPT P10636 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CSF1R P07333 3/20 0.37
PDGFRB P09619 3/20 0.37
KIT P10721 3/20 0.37
PDGFRA P16234 1/20 0.37
PIM1 P11309 4/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1482856 0.97 ALOX5AP (0.42) ALOX5APCYP11B1CYP11B2CHEK1FYN
Bromide SCHEMBL1483324 0.96 ALOX5AP (0.41) ALOX5APCYP11B1CYP11B2CHEK1FYN
SCHEMBL2678254 0.92 ALOX5AP (0.43) ALOX5APCYP11B1CYP11B2CHEK1FYN
Hydrochloric Acid SCHEMBL2678766 0.91 ALOX5AP (0.42) ALOX5APCYP11B1CYP11B2CHEK1FYN
Fumaric Acid SCHEMBL4263917 0.88 CSF1R (0.39) ALOX5APCHEK1CSF1RPDGFRBKIT
SCHEMBL1483242 0.84 NAMPT (0.42) ALOX5APPIM1
SCHEMBL2678244 0.81 HSD11B1 (0.41) CYP11B1CYP11B2
SCHEMBL1482857 0.81 ALOX5AP (0.38) ALOX5APPIM1MAPK1
SCHEMBL2679668 0.80 ALOX5AP (0.39) ALOX5APCYP11B1CYP11B2CHEK1
SCHEMBL2679498 0.80 ALOX5AP (0.41) ALOX5APCYP11B1

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 7 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
EP-2118104-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY Sanofi-Aventis (FR) 2009-11-18 EP disclosed
WO-2008110699-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2008-09-18 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 (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 ALOX5AP 666/4885CYP11B1 24/4885CYP11B2 29/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 ALOX5AP 666/4885CYP11B1 24/4885CYP11B2 29/4885

“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.