SCHEMBL19862546

SCHEMBL19862546

CC(C)CCCc1ccc(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
HTR2A P28223 3/20 0.37
KCNH2 Q12809 2/20 0.36
HTR2C P28335 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
APLNR P35414 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
GCGR P47871 1/20 0.33
CYP19A1 P11511 3/20 0.33
DDX3X O00571 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
HRH1 P35367 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
XBP1 P17861 1/20 0.30

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
SCHEMBL19862533 0.80 CCR1 (0.39) DAOKCNH2NPC1ALDH1A1HPGD
SCHEMBL18227939 0.79 DAO (0.44) DAOHTR2AKCNH2HTR2CLMNA
SCHEMBL15632944 0.79 ESR1 (0.51) GPR84ESR1ESR2DEGS1
SCHEMBL26501103 0.79 HRH3 (0.37) HTR2AKCNH2HTR2CLMNANPC1
SCHEMBL22222753 0.78 KCNH2 (0.46) DAOHTR2AKCNH2HTR2CALDH1A1
SCHEMBL5531880 0.77 ESR1 (0.41) DAOHTR2AKCNH2HTR2CLMNA
SCHEMBL19309235 0.76 KCNH2 (0.48) DAOHTR2AKCNH2HTR2CLMNA
SCHEMBL26674471 0.76 KCNH2 (0.48) DAOHTR2AKCNH2HTR2CLMNA
SCHEMBL10327494 0.76 KCNH2 (0.48) DAOHTR2AKCNH2HTR2CLMNA
SCHEMBL3631933 0.76 DAO (0.44) DAOHTR2AKCNH2HTR2CMBOAT4

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 DAO 312/4885HTR2A 3253/4885KCNH2 2435/4885

“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.