SCHEMBL2678178

SCHEMBL2678178

FC(F)(F)c1cc(-c2ccc(C34CCCN(CCC3)C4)cn2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.44
MAOB P27338 2/20 0.34
TRPV3 Q8NET8 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CYP3A4 P08684 4/20 0.32
CYP1A2 P05177 3/20 0.32
TSHR P16473 3/20 0.32
EIF2AK4 Q9P2K8 2/20 0.32
CNR2 P34972 1/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2678297 0.92 KDM1A (0.46) KDM1AMAOBTRPV3AKR1C3AKR1C2
SCHEMBL2676629 0.89 KDM1A (0.47) KDM1AMAOBCYP3A4CYP1A2CNR2
SCHEMBL2677995 0.89 KDM1A (0.43) KDM1AMAOBTRPV3CYP3A4CYP1A2
SCHEMBL2677987 0.81 KDM1A (0.49) KDM1AMAOBCYP3A4CYP1A2CNR2
SCHEMBL2678702 0.79 NPC1 (0.39) CYP3A4MEN1KMT2A
SCHEMBL2678244 0.79 HSD11B1 (0.41) CYP2D6
SCHEMBL5221907 0.79 GRM5 (0.34) KDM1A
SCHEMBL2677558 0.78 CYP1A2 (0.41) CYP1A2TP53SLC6A2SLC6A4SLC6A3
SCHEMBL2679668 0.78 ALOX5AP (0.39)
SCHEMBL2679498 0.78 ALOX5AP (0.41) SLC6A2SLC6A4SLC6A3

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 83/4885TRPV3 4027/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 KDM1A 893/4885MAOB 83/4885TRPV3 4027/4885

“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.