SCHEMBL19862536

SCHEMBL19862536

CC(C)CCCc1cccc(F)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
GPR84 Q9NQS5 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
SYK P43405 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
MAPT P10636 1/20 0.33
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
HRH1 P35367 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL19862547 0.80 KCNH2 (0.44) KCNH2GPR84OPRM1OPRD1NOS1
SCHEMBL19865690 0.78 KCNH2 (0.71) KCNH2GPR84
SCHEMBL7115998 0.76 KCNH2 (0.75) KCNH2GPR84
SCHEMBL8662478 0.76 KCNH2 (0.42) KCNH2MBOAT4MAPT
SCHEMBL10119370 0.75 KCNH2 (0.52) KCNH2SYKHIF1AEPAS1NOS1
SCHEMBL10141737 0.75 KCNH2 (0.56) KCNH2SYKHIF1AEPAS1NOS1
SCHEMBL10265068 0.75 KCNH2 (0.50) KCNH2MBOAT4MAPTNOS1NOS2
SCHEMBL18858526 0.74 KCNH2 (0.48) KCNH2SYKNOS1NOS2NOS3
SCHEMBL24617225 0.71 HRH1 (0.47) KCNH2MBOAT4MAPTNOS1NOS2
SCHEMBL12604331 0.70 CYP1A2 (0.57) HRH1

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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A KCNH2 2435/4885GPR84 3207/4885MBOAT4 2200/4885

“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.