SCHEMBL747203

SCHEMBL747203

c1cc(-c2ccc(OC3CC4CCC(C3)N4)cn2)c2cc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.44
SLC6A2 P23975 14/20 0.44
SLC6A3 Q01959 12/20 0.44
CHRNA7 P36544 2/20 0.42
KCNH2 Q12809 2/20 0.39
ABL1 P00519 1/20 0.37
BCR P11274 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
Trifluoroacetic Acid SCHEMBL743398 0.90 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3CHRNA7KCNH2
SCHEMBL745851 0.84 CHRNA7 (0.49) SLC6A4SLC6A2SLC6A3CHRNA7KCNH2
Trifluoroacetic Acid SCHEMBL747038 0.76 CHRNA7 (0.42) SLC6A4SLC6A2SLC6A3CHRNA7KCNH2
SCHEMBL2232474 0.76 CHRNA7 (0.46) SLC6A4SLC6A2SLC6A3CHRNA7KCNH2
SCHEMBL747037 0.76 CHRNA7 (0.46) SLC6A4SLC6A2SLC6A3CHRNA7KCNH2
SCHEMBL2231138 0.76 CHRNA7 (0.46) SLC6A4SLC6A2SLC6A3CHRNA7KCNH2
Hydrochloric Acid SCHEMBL747610 0.75 CHRNA7 (0.45) SLC6A4SLC6A2SLC6A3CHRNA7KCNH2
SCHEMBL743970 0.72 PRKCZ (0.46) SLC6A4SLC6A2SLC6A3KCNH2ABL1
SCHEMBL747570 0.70 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3CHRNA7
SCHEMBL746418 0.70 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940762-B2 Methods for treating pain ABBVIE INC. (US) 2015-01-27 US claimed
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 SLC6A4 3130/4885SLC6A2 2602/4885SLC6A3 2587/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 SLC6A4 3130/4885SLC6A2 2602/4885SLC6A3 2587/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 SLC6A4 461/4885SLC6A2 174/4885SLC6A3 392/4885

“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.