SCHEMBL742934

SCHEMBL742934

CC(=O)N1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.51
S1PR1 P21453 1/20 0.51
OPRM1 P35372 1/20 0.51
FUCA1 P04066 2/20 0.50
ACHE P22303 2/20 0.49
CYP2D6 P10635 1/20 0.48
BRD4 O60885 3/20 0.46

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
SCHEMBL18711744 0.94 S1PR1 (0.49) S1PR5S1PR1OPRM1FUCA1ACHE
SCHEMBL5175290 0.87 S1PR5 (0.54) S1PR5S1PR1OPRM1FUCA1
SCHEMBL17512633 0.87 S1PR5 (0.54) S1PR5S1PR1OPRM1FUCA1
SCHEMBL9686795 0.82 OPRM1 (0.49) S1PR5S1PR1OPRM1FUCA1ACHE
Hydrochloric Acid SCHEMBL9687011 0.81 OPRM1 (0.48) S1PR5S1PR1OPRM1FUCA1ACHE
SCHEMBL23053901 0.80 KCNK3 (0.52) S1PR5S1PR1OPRM1
SCHEMBL3538916 0.80 KCNK3 (0.52) S1PR5S1PR1OPRM1
SCHEMBL22569544 0.80 KCNK3 (0.52) S1PR5S1PR1OPRM1
SCHEMBL18702050 0.80 KMT2A (0.47) S1PR5S1PR1OPRM1FUCA1
SCHEMBL1022483 0.78 OPRM1 (0.54) OPRM1FUCA1ACHE

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 5 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
EP-2430019-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2012-03-21 EP disclosed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO 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 S1PR5 726/4885S1PR1 881/4885OPRM1 1863/4885

“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.