Sugi Predict

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SCHEMBL2677995

SCHEMBL2677995

FC(F)(F)c1ccc(-c2ccc(C34CCCN(CCC3)C4)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KIF11 P52732 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ P2RY14 Q15391 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ EIF2AK4 Q9P2K8 2/20 0.35
▸ HSD11B1 P28845 2/20 0.34
▸ SCD O00767 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ TRPV3 Q8NET8 5/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33

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
SCHEMBL2678178 0.89 KDM1A (0.44) KDM1AMAOBCYP1A2EIF2AK4SLC6A3
SCHEMBL2676629 0.85 KDM1A (0.47) KDM1AMAOBCYP1A2CYP3A4
SCHEMBL2678702 0.85 NPC1 (0.39) KCNH2HSD11B1CYP3A4ALOX5APFEN1
SCHEMBL2677558 0.84 CYP1A2 (0.41) CYP1A2HSD11B1SLC6A3P2RX7
SCHEMBL2679668 0.84 ALOX5AP (0.39) ALOX5APHCRTR2
SCHEMBL2678746 0.83 HSD11B1 (0.40) CYP1A2HSD11B1CYP3A4
SCHEMBL2678244 0.82 HSD11B1 (0.41) HSD11B1
SCHEMBL5216499 0.82 ALOX5AP (0.38) ALOX5APHCRTR2
SCHEMBL2678628 0.81 JAK2 (0.37) KCNH2ALOX5APFEN1
Bromide SCHEMBL4477940 0.81 ALOX5AP (0.37) ALOX5APHCRTR2

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 KDM1A 893/4885MAOB 83/4885KIF11 2853/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 KDM1A 893/4885MAOB 83/4885KIF11 2853/4885

“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.