SCHEMBL2678397

SCHEMBL2678397

COc1ccc(-c2ccc(C34CCCN(CCC3)C4)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
CASP3 P42574 3/20 0.40
SENP7 Q9BQF6 3/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 4/20 0.40
CYP11B1 P15538 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
WDR5 P61964 1/20 0.39
FYN P06241 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A4 P31645 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4469713 0.97 RXFP1 (0.41) RXFP1CASP3SENP7SENP8SENP6
Bromide SCHEMBL4480044 0.96 RXFP1 (0.40) RXFP1CASP3SENP7SENP8SENP6
SCHEMBL2677581 0.92 RXFP1 (0.45) RXFP1CASP3SENP7SENP8SENP6
SCHEMBL2678305 0.85 KDM1A (0.47) NPC1RAB9AWDR5FYNKMT2A
SCHEMBL2678742 0.85 CYP11B1 (0.42) NPC1RAB9ACYP11B1FYNKMT2A
SCHEMBL2678759 0.84 FYN (0.42) NPC1RAB9AFYNKMT2ASLC6A4
SCHEMBL2677558 0.84 CYP1A2 (0.41) NPC1RAB9ASLC6A4GAAMAPT
Hydrochloric Acid SCHEMBL2678564 0.83 FYN (0.41) NPC1RAB9AFYNKMT2ASLC6A4
SCHEMBL2678746 0.83 HSD11B1 (0.40) WDR5SMN1; SMN2CHRNA7
SCHEMBL2678702 0.83 NPC1 (0.39) RXFP1NPC1RAB9ACYP11B1KMT2A

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 RXFP1 2778/4885CASP3 1498/4885SENP7 4205/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 RXFP1 2778/4885CASP3 1498/4885SENP7 4205/4885

“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.