SCHEMBL3748431

SCHEMBL3748431

CC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.50
CYP1A2 P05177 5/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP3A4 P08684 8/20 0.49
HIF1A Q16665 1/20 0.49
USP2 O75604 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 5/20 0.46
SCD5 Q86SK9 1/20 0.46
CYP11B2 P19099 1/20 0.45
ACACB O00763 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL20669220 0.94 SCD5 (0.49) CYP2D6CYP1A2ALDH1A1CYP2C9CYP3A4
SCHEMBL18711499 0.88 USP2 (0.49) CYP2D6ALDH1A1USP2SCD5CYP11B2
SCHEMBL18711285 0.88 CYP4F2 (0.47) ALDH1A1USP2SCD5CYP11B2ACACB
SCHEMBL995814 0.88 ACACB (0.47) CYP2D6ALDH1A1CYP2C9CYP3A4HIF1A
SCHEMBL18711501 0.88 CYP11B2 (0.48) ALDH1A1USP2SCD5CYP11B2ACACB
SCHEMBL4271629 0.88 CYP11B2 (0.51) CYP2D6ALDH1A1CYP2C9CYP3A4HIF1A
SCHEMBL23763011 0.87 CYP2D6 (0.50) CYP2D6CYP1A2ALDH1A1CYP2C9CYP3A4
SCHEMBL25275679 0.86 CYP11B2 (0.52) CYP2D6CYP1A2ALDH1A1CYP2C9USP2
SCHEMBL23906185 0.86 CYP11B2 (0.52) CYP2D6CYP1A2ALDH1A1CYP2C9USP2
SCHEMBL14240265 0.86 HPGD (0.46) CYP2D6CYP1A2ALDH1A1CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430019-B1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-09-18 EP disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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 (1 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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R CYP2D6 540/4885CYP1A2 680/4885ALDH1A1 1950/4885

“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.