SCHEMBL4404411

SCHEMBL4404411

NCc1cccc(C2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.57
SLC18A3 Q16572 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
QDPR P09417 1/20 0.46
TPSAB1 Q15661 1/20 0.42
HTR6 P50406 1/20 0.42
GBA1 P04062 1/20 0.41
MPO P05164 1/20 0.40
TPO P07202 1/20 0.40
CYP3A4 P08684 1/20 0.40
PNMT P11086 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
SCHEMBL27881263 0.94 HTR2C (0.55) HTR2CSLC18A3SIGMAR1QDPRTPSAB1
SCHEMBL27511207 0.90 DRD2 (0.48) HTR2CSLC18A3SIGMAR1MPO
SCHEMBL3176710 0.87 PNMT (0.47) TPSAB1PNMT
Hydrochloric Acid SCHEMBL13570531 0.85 PNMT (0.45) HTR2CTPSAB1PNMT
SCHEMBL25359641 0.84 PRMT6 (0.44) TPSAB1PNMT
SCHEMBL30531117 0.84 PRMT6 (0.44) TPSAB1PNMT
SCHEMBL16368536 0.84 HDAC4 (0.47) TPSAB1PNMT
SCHEMBL4518387 0.83 HTR2C (0.62) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL7624146 0.83 HTR2C (0.57) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL22567480 0.83 HTR2C (0.57) HTR2CSLC18A3SIGMAR1QDPRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104926801-B Substituted azetidine analog derivative, the pharmaceutical composition containing it and its application in antitumor 浙江大学 2019-06-04 CN claimed
US-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CORNELL UNIVERSITY (US) 2024-04-30 US disclosed
US-10912786-B2 Silyl monomers capable of multimerizing in an aqueous solution, and methods of using same CORNELL UNIVERSITY (US) 2021-02-09 US disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
EP-2693883-B1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2018-12-26 EP disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20170080001-A1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY 2017-03-23 US disclosed
US-20170080001-A1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY 2017-03-23 US disclosed
WO-2015106294-A1 BIVALENT BCR-ABL TYROSINE KINASE LIGANDS, AND METHODS OF USING SAME COFERON,INC. (US) 2015-07-16 WO disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-1740169-A Arylmethylamine derivatives for use as tryptase inhibitors AVENTIS PHARMA INC (US) 2006-03-01 CN disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
CN-1230431-C Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2005-12-07 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
CN-1439003-A Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2003-08-27 CN disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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 (6 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-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CALCOCO2, MDN1, MBNL1 HTR2C 4716/4885SLC18A3 4334/4885SIGMAR1 4436/4885
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 HTR2C 267/4885SLC18A3 693/4885SIGMAR1 2651/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 HTR2C 267/4885SLC18A3 693/4885SIGMAR1 2651/4885
US-10912786-B2 Silyl monomers capable of multimerizing in an aqueous solution, and methods of using same STIM1, STAMBP, ILK HTR2C 4749/4885SLC18A3 3980/4885SIGMAR1 3011/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 HTR2C 4716/4885SLC18A3 4334/4885SIGMAR1 4436/4885
US-20170080001-A1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME STIM1, STAMBP, ILK HTR2C 4749/4885SLC18A3 3980/4885SIGMAR1 3011/4885

“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.