SCHEMBL19862533

SCHEMBL19862533

Cc1ccc(CCCC(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDE10A Q9Y233 1/20 0.38
CXCR4 P61073 1/20 0.36
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
NOS1 P29475 1/20 0.35
CYP19A1 P11511 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
DAO P14920 1/20 0.32
KCNH2 Q12809 1/20 0.32
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
CNR1 P21554 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL21970044 0.89 NOS3 (0.44) CCR1CCR5CCR8HDAC6PDE10A
Hydrochloric Acid SCHEMBL30593946 0.87 NOS3 (0.43) CCR1CCR5CCR8HDAC6PDE10A
SCHEMBL26501103 0.80 HRH3 (0.37) NOS3NOS2NOS1KCNH2MAPT
SCHEMBL19862546 0.80 DAO (0.41) CYP19A1DAOKCNH2ALDH1A1HPGD
SCHEMBL15632944 0.80 ESR1 (0.51) GPR84ESR1ESR2DEGS1
SCHEMBL18682734 0.80 CCR1 (0.52) CCR1CCR5CCR8HDAC6PDE10A
SCHEMBL9921222 0.79 ALDH1A1 (0.44) CCR1CCR5CCR8HDAC6PDE10A
SCHEMBL8852051 0.77 KCNH2 (0.47) CCR1CCR5CCR8HDAC6PDE10A
SCHEMBL8665678 0.77 CCR1 (0.41) CCR1CCR5CCR8HDAC6PDE10A
SCHEMBL6126149 0.76 CCR1 (0.44) CCR1CCR5CCR8HDAC6PDE10A

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 CCR1 2536/4885CCR5 1608/4885CCR8 2513/4885

“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.