SCHEMBL17832241

SCHEMBL17832241

CC1CN(c2ccc(OC(F)(F)F)cc2)CCN1c1ccc(C=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 6/20 0.43
CHRM2 P08172 3/20 0.40
CHRM1 P11229 2/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
ACACB O00763 2/20 0.39
DGAT1 O75907 1/20 0.38
SMO Q99835 3/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL17832243 0.93 CHRM2 (0.44) SGPL1CHRM2CHRM1CHRM5CHRM3
SCHEMBL17832256 0.88 ACACB (0.44) CHRM2CHRM1CHRM5CHRM3ACACB
SCHEMBL17832206 0.85 ACACB (0.42) CHRM2CHRM1CHRM5CHRM3ACACB
SCHEMBL17832319 0.84 BCHE (0.44)
SCHEMBL17832273 0.81 CACNA1B (0.40) SMO
SCHEMBL19627313 0.79 HDAC1 (0.39)
SCHEMBL17832253 0.75 CACNA1G (0.38) CHRM4
SCHEMBL17832326 0.74 KCNA5 (0.44) CHRM4
SCHEMBL17832250 0.74 ACACB (0.51) ACACB
SCHEMBL17832244 0.73 LCAT (0.44) DGAT1SMOCHRM4

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
US-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
US-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
WO-2016091207-A1 NITROMIDAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN DRUG MANUFACTURING 上海阳帆医药科技有限公司 2016-06-16 WO 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-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing NISCH, CYP51A1, CYP4F11 SGPL1 2951/4885CHRM2 4755/4885CHRM1 4564/4885

“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.