SCHEMBL3747875

SCHEMBL3747875

Oc1ccc2c(CN3CCOCC3)c[nH]c2c1.[Na]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.55
HTR2C P28335 2/20 0.50
BCHE P06276 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
JAK2 O60674 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL13050952 0.99 HRH3 (0.56) HRH3HTR2CBCHECYP2D6CYP2C9
SCHEMBL3747870 0.97 HRH3 (0.55) HRH3HTR2CBCHECYP2D6CYP2C9
SCHEMBL31217232 0.82 EGFR (0.56) HRH3BCHECYP2D6HSD17B10DRD2
SCHEMBL19252887 0.82 HRH3 (0.54) HRH3BCHECYP2D6CYP2C9ALOX15
SCHEMBL27868474 0.82 HRH3 (0.54) HRH3BCHECYP2D6CYP2C9ALOX15
SCHEMBL29479428 0.82 DRD4 (0.58) HRH3BCHECYP2D6DRD2DRD4
SCHEMBL4435184 0.81 HRH3 (0.67) HRH3BCHECYP2D6HSD17B10DRD2
SCHEMBL24216523 0.80 HRH3 (0.55) HRH3BCHECYP2D6DRD2DRD4
SCHEMBL13071776 0.80 HTR2C (0.52) HRH3HTR2CBCHECYP2D6DRD2
SCHEMBL30409927 0.80 HRH3 (0.55) HRH3BCHECYP2D6DRD2DRD4

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 HRH3 111/4885HTR2C 896/4885BCHE 323/4885

“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.