SCHEMBL9946159

SCHEMBL9946159

CC1(C)OC(c2cccnc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
CYP2A6 P11509 3/20 0.43
CYP11B2 P19099 1/20 0.43
CPB1 P15086 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 3/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA2 Q15822 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
PSIP1 O75475 1/20 0.40
TRPA1 O75762 1/20 0.40
HTR3B O95264 1/20 0.40

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
SCHEMBL34472292 0.75
SCHEMBL9946121 0.74 MEN1 (0.46) ALDH1A1CYP3A4CYP2C19CHRNA7LMNA
SCHEMBL9946160 0.73 TNKS (0.36)
SCHEMBL28640718 0.72 KIF11 (0.49) CYP2A6CYP11B2ALDH1A1CYP1A2CYP3A4
SCHEMBL2422786 0.72 CYP2A6 (0.50) CHRNB2CHRNA4CYP2A6CYP11B2CYP1A2
SCHEMBL17863581 0.71 MAPK1 (0.37) RAB9ACYP2C19
Iodide SCHEMBL2420627 0.71 CYP2A6 (0.48) CHRNB2CHRNA4CYP2A6CYP11B2CYP1A2
SCHEMBL22328144 0.70 TBXAS1 (0.48) RAB9ACHRNB2CHRNA4CYP2A6CYP11B2
SCHEMBL9844930 0.69 CYP2A6 (0.49) CHRNB2CHRNA4CYP2A6CYP11B2ALDH1A1
SCHEMBL29804975 0.69 CHRNB2 (0.56) CHRNB2CHRNA4CYP2A6CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071528-B Bicyclic compounds for diagnosis and therapy AC免疫有限公司 2023-02-17 CN disclosed
CN-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 CN disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 RAB9A 1191/4885CHRNB2 207/4885CHRNA4 585/4885

“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.