SCHEMBL17832243

SCHEMBL17832243

CC1CN(c2ccc(C=O)cn2)CCN1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.44
CHRM1 P11229 2/20 0.44
SGPL1 O95470 2/20 0.40
ACACB O00763 2/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
SMO Q99835 3/20 0.37
MCHR1 Q99705 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
PGR P06401 1/20 0.36
GPR183 P32249 1/20 0.36
HSD11B1 P28845 1/20 0.36
OGA O60502 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
CHRM4 P08173 1/20 0.35

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
SCHEMBL17832241 0.93 SGPL1 (0.43) CHRM2CHRM1SGPL1ACACBSMO
SCHEMBL17832206 0.88 ACACB (0.42) CHRM2CHRM1ACACBCHRM5CHRM3
SCHEMBL17832319 0.84 BCHE (0.44) BCHEACHEBACE1MCHR1CACNA1G
SCHEMBL17832256 0.84 ACACB (0.44) CHRM2CHRM1ACACBCHRM5CHRM3
SCHEMBL17832273 0.81 CACNA1B (0.40) BCHEACHEBACE1SMOPGR
SCHEMBL19627313 0.80 HDAC1 (0.39)
SCHEMBL17832250 0.79 ACACB (0.51) ACACB
SCHEMBL17832239 0.76 ACACB (0.39) ACACBMCHR1CHRM4
SCHEMBL17832235 0.76 FAAH (0.47) ACACBCHRM4
SCHEMBL17832244 0.76 LCAT (0.44) BCHEACHEBACE1SMOCACNA1G

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 CHRM2 4755/4885CHRM1 4564/4885SGPL1 2951/4885

“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.