SCHEMBL2679129

SCHEMBL2679129

COc1ccccc1-c1ccc(C23CCCN(CCC2)C3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CNR2 P34972 1/20 0.39
METAP2 P50579 1/20 0.38
KDM1A O60341 1/20 0.37
HSD11B1 P28845 1/20 0.37
HPGD P15428 5/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
FYN P06241 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL2678616 0.93 CYP11B1 (0.43) CYP11B1CYP11B2CNR2METAP2KDM1A
SCHEMBL2677924 0.90 KDM1A (0.50) KDM1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2679083 0.86 KCNH2 (0.41)
SCHEMBL2678549 0.86 ALOX5AP (0.43) CYP11B1CYP11B2CYP1A2CYP2D6CYP2C19
SCHEMBL2678433 0.85 CYP1A1 (0.39) HPGDRAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2678416 0.85 HSD17B10 (0.36) KDM1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2677627 0.82 KDM1A (0.52) CYP11B1CYP11B2KDM1AALDH1A1CYP1A2
SCHEMBL2678187 0.81 NPC1 (0.39) CYP11B1CYP11B2RAB9AL3MBTL1NPC1
SCHEMBL2678934 0.80 CYP11B1 (0.41) CYP11B1CYP11B2HPGDALDH1A1KDM4E
SCHEMBL2678759 0.80 FYN (0.42) KDM1AHPGDRAB9ASMN1; SMN2ALDH1A1

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 CYP11B1 24/4885CYP11B2 29/4885CNR2 631/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 CYP11B1 24/4885CYP11B2 29/4885CNR2 631/4885

“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.