SCHEMBL13050847

SCHEMBL13050847

OCCc1c[nH]c2ccc(OC3=Nc4ccccc4C3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
TRPM8 Q7Z2W7 3/20 0.47
HTR2C P28335 2/20 0.45
POLB P06746 1/20 0.43
HTR1A P08908 6/20 0.41
HTR1D P28221 5/20 0.41
HTR1B P28222 4/20 0.41
LTA4H P09960 4/20 0.40
PLA2G2A P14555 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR6 P50406 2/20 0.40
SLC6A4 P31645 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR4 Q13639 1/20 0.39
MTNR1A P48039 1/20 0.39

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
SCHEMBL13050846 0.83 TRPM8 (0.42) CYP2D6TRPM8HTR2CHTR1AHTR1D
SCHEMBL13050884 0.76 MAPT (0.38) POLBLTA4HMAPTKDM4E
SCHEMBL14092940 0.75 FFAR1 (0.39) LTA4H
SCHEMBL29375720 0.70 CYP2D6 (1.00) CYP2D6TRPM8HTR2CHTR1AHTR1D
SCHEMBL676574 0.70 CYP2D6 (1.00) CYP2D6TRPM8HTR2CHTR1AHTR1D
SCHEMBL6388022 0.69 POLB (0.78) CYP2D6TRPM8POLBHTR1AHTR1D
SCHEMBL13050900 0.69 MAPT (0.39) POLBLTA4HMAPTKDM4E
SCHEMBL24453112 0.68 CYP2D6 (0.74) CYP2D6TRPM8HTR2CPOLBHTR1A
SCHEMBL9662031 0.67 CYP2D6 (0.68) CYP2D6TRPM8HTR2CHTR1AHTR1D
SCHEMBL11536520 0.66 HTR1B (0.76) CYP2D6HTR2CHTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 540/4885TRPM8 861/4885HTR2C 896/4885

“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.