SCHEMBL1494478

SCHEMBL1494478

CCC(C(=O)O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
OPRD1 P41143 12/20 0.42
OPRM1 P35372 5/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A3 Q01959 1/20 0.36
OPRK1 P41145 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
SCHEMBL7590414 1.00 SIGMAR1 (0.43) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL28404227 0.98 SIGMAR1 (0.42) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL29926322 0.98 SIGMAR1 (0.42) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL6423819 0.96 SIGMAR1 (0.41) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL1607970 0.90 OPRD1 (0.41) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL2910332 0.86 OPRD1 (0.38) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL27667325 0.86 SIGMAR1 (0.44) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL3102765 0.85
SCHEMBL29004649 0.85 SIGMAR1 (0.48) SIGMAR1SLC6A4SLC6A2CHRM3SLC6A3
SCHEMBL6658920 0.84 SMN1; SMN2 (0.36) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592688-B Piperazine based amide acid salt heat stabilizer for PVC, preparation method thereof and PVC composite material 唐山师范学院 2022-03-22 CN disclosed
CN-111592688-A Piperazine based amide acid salt heat stabilizer for PVC, preparation method thereof and PVC composite material 唐山师范学院 2020-08-28 CN disclosed
EP-2667848-A1 CARRIERS FOR THE LOCAL RELEASE OF HYDROPHILIC PRODRUGS Koninklijke Philips N.V. (NL) 2013-12-04 EP disclosed
WO-2012101587-A1 CARRIERS FOR THE LOCAL RELEASE OF HYDROPHILIC PRODRUGS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-08-02 WO disclosed
US-8207163-B2 Compositions, synthesis, and methods of using piperazine based antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
EP-2299814-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS Reviva Pharmaceuticals, Inc. (US) 2011-03-30 EP disclosed
WO-2009154993-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP disclosed
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-10-30 US disclosed
EP-1349841-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
EP-1349840-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
WO-2002046171-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO disclosed
WO-2002046170-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
US-5215974-A Antisecretory agents for gastrointestinal disorders; water solubility, chemical stability AKTIEBOLAGET HASSLE (SE) 1993-06-01 US disclosed
EP-0332647-A1 NEW BENZIMIDAZOLE DERIVATIVES A PROCESS FOR PRODUCTION THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Aktiebolaget Hässle (SE) 1989-09-20 EP disclosed
WO-1988003921-A1 NEW BENZIMIDAZOLE DERIVATIVES A PROCESS FOR PRODUCTION THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Aktiebolaget Hässle (SE) 1988-06-02 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 (2 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-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents GRIK5, GAP43, GRIN2D SIGMAR1 2664/4885OPRD1 1474/4885OPRM1 2474/4885
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE SIGMAR1 4202/4885OPRD1 1817/4885OPRM1 3333/4885

“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.