SCHEMBL19865660

SCHEMBL19865660

CC(C)C(C)CCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP2C19 P33261 1/20 0.53
HRH1 P35367 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
LMNA P02545 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2D6 P10635 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL574013 0.84 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL30201139 0.84 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL14214472 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL19079581 0.81 HRH1 (0.53) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL29485678 0.81 HRH1 (0.73) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL230753 0.81 HRH1 (0.73) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL8662285 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL10771160 0.81 HRH1 (0.57) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL6938906 0.81 HRH1 (0.57) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL23765410 0.80 GRIN2D (0.52) CYP1A2ALDH1A1CYP2C19HRH1HRH3

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 1 patent. 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

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 CYP1A2 677/4885ALDH1A1 436/4885CYP2C19 834/4885

“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.