SCHEMBL1827882

SCHEMBL1827882

C1CCC(CN2CCCC2)C1

nearest known ligand 0.94

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.94
ADRA2C P18825 1/20 0.94
ACHE P22303 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.53
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
OPRM1 P35372 3/20 0.42
OPRL1 P41146 3/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
GBA1 P04062 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
SIGMAR1 Q99720 3/20 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
SCHEMBL18616997 0.97 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2CHRM2
Leptacline SCHEMBL509769 0.97 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2CHRM2
SCHEMBL18361231 0.97 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2CHRM2
SCHEMBL19575409 0.97 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2CHRM2
SCHEMBL30340995 0.97 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2CHRM2
SCHEMBL20643257 0.97 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2CHRM2
SCHEMBL1515104 0.97 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2CHRM2
SCHEMBL3439882 0.97 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2CHRM2
SCHEMBL17847658 0.94 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2CHRM2
SCHEMBL3637083 0.94 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3608308-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS Novartis AG (CH) 2020-02-12 EP disclosed
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 US disclosed
EP-2318400-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-11 EP disclosed
WO-2010013037-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-02-04 WO disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
US-7482352-B2 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2009-01-27 US disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
US-4534978-A OXYGEN CARRYING COMPONENTS; TRANSFUSIONS THE GREEN CROSS CORPORATION (JP) 1985-08-13 US disclosed
US-4501745-A TREATMENT OF NERVOUS SYSTEM DISORDERS SYNTHELABO (FR) 1985-02-26 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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 CHRM5 2708/4885ADRA2C 2024/4885ACHE 3931/4885

“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.