SCHEMBL745239

SCHEMBL745239

O=C1Cc2cc(-c3ccc(OC4CC5CCC(C4)N5)cn3)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CRBN Q96SW2 2/20 0.40
SLC6A4 P31645 8/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A3 Q01959 5/20 0.39
KCNH2 Q12809 1/20 0.39
GRIA1 P42261 3/20 0.39
CACNG8 Q8WXS5 2/20 0.38
PGR P06401 1/20 0.38
MAOB P27338 1/20 0.37
AKT1 P31749 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
SCHEMBL748520 0.85 KDM1A (0.45) KDM1APDE3BPDE3ACYP1A2CYP11B1
Hydrochloric Acid SCHEMBL746931 0.84 KDM1A (0.45) KDM1APDE3BPDE3ACYP1A2CYP11B1
SCHEMBL3826883 0.76 KDM1A (0.42) KDM1APDE3BPDE3ACYP1A2CYP11B1
SCHEMBL2231138 0.75 CHRNA7 (0.46) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL2232474 0.75 CHRNA7 (0.46) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL747037 0.75 CHRNA7 (0.46) SLC6A4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL747610 0.74 CHRNA7 (0.45) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL2485906 0.72 KDM1A (0.55) KDM1ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL2485905 0.72 KDM1A (0.55) KDM1ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL743970 0.71 PRKCZ (0.46) SLC6A4SLC6A2SLC6A3KCNH2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP claimed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP claimed
US-20110178121-A1 Methods for Treating Pain ABBOTT LABORATORIES (US) 2011-07-21 US claimed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US claimed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US claimed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US claimed
US-8940762-B2 Methods for treating pain ABBVIE INC. (US) 2015-01-27 US disclosed
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP disclosed
US-20110178121-A1 Methods for Treating Pain ABBOTT LABORATORIES (US) 2011-07-21 US disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US 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 (3 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 KDM1A 2761/4885PDE3B 3213/4885PDE3A 3214/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 KDM1A 2761/4885PDE3B 3213/4885PDE3A 3214/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 KDM1A 2173/4885PDE3B 262/4885PDE3A 263/4885

“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.