SCHEMBL745744

SCHEMBL745744

CN1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(-c3ccc4c(ccn4C)c3)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.46
FASN P49327 1/20 0.41
CTSC P53634 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
HSD11B1 P28845 1/20 0.38
PRKCI P41743 1/20 0.37
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37
PFKFB3 Q16875 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL745745 1.00 FAAH (0.46) FAAHFASNCTSCCD274HSD11B1
Fumaric Acid SCHEMBL748370 0.90 CCNC (0.43) FAAHFASNCTSCCD274KDM4E
Fumaric Acid SCHEMBL748371 0.90 CCNC (0.43) FAAHFASNCTSCCD274KDM4E
SCHEMBL747686 0.85 FAAH (0.42) FAAHFASNCTSCCD274HSD11B1
SCHEMBL748442 0.77 NPC1 (0.44) ABL1
SCHEMBL748443 0.77 NPC1 (0.44) ABL1
SCHEMBL748131 0.77 CHRNA7 (0.44)
SCHEMBL744637 0.77 CHRNA7 (0.45)
SCHEMBL746377 0.77 CHRNA7 (0.45)
SCHEMBL748130 0.77 CHRNA7 (0.44)

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 12 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-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 FAAH 947/4885FASN 1058/4885CTSC 1743/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 FAAH 947/4885FASN 1058/4885CTSC 1743/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 FAAH 386/4885FASN 2888/4885CTSC 2130/4885

“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.