SCHEMBL377452

SCHEMBL377452

N#Cc1cccc(C2CCNCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.69
DRD3 P35462 9/20 0.69
HTR2C P28335 6/20 0.59
SLC18A3 Q16572 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
CASP1 P29466 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
QDPR P09417 1/20 0.47

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
SCHEMBL30809964 1.00 DRD2 (0.69) DRD2DRD3HTR2CSLC18A3SIGMAR1
SCHEMBL4875328 0.89 DRD2 (0.67) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL31523251 0.85 DRD2 (0.73) DRD2DRD3CYP2D6TSHRNFKB1
Tert-Butyl Formate SCHEMBL27635042 0.84 DRD3 (0.51) DRD2DRD3HTR2CSLC18A3SIGMAR1
SCHEMBL14869628 0.84 DRD2 (0.76) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL2227921 0.84 DRD2 (0.71) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL4071635 0.82 DRD2 (0.59) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL28728225 0.82 DRD2 (0.59) DRD2DRD3CYP2D6TSHRNFKB1
Hydrochloric Acid SCHEMBL31210148 0.82 DRD2 (0.73) DRD2DRD3CYP2D6TSHRNFKB1
Hydrochloric Acid SCHEMBL26692355 0.82 DRD2 (0.73) DRD2DRD3CYP2D6TSHRNFKB1

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 43 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
EP-4731223-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY Universitat De Barcelona (ES) 2026-04-29 EP disclosed
WO-2024261340-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY UNIVERSITAT DE BARCELONA (ES) 2024-12-26 WO disclosed
CN-118146234-A 6,5,7,6-Tetracyclic derivatives, preparation method and application thereof 浙江我武翼方药业有限公司 2024-06-07 CN disclosed
WO-2024114672-A1 6,5,7,6-TETRACYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江我武翼方药业有限公司 2024-06-06 WO disclosed
EP-3423436-B1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
EP-3083601-B1 PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-09-09 EP disclosed
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-04 US disclosed
CN-105849096-B Piperidine derivatives having multimodal activity against pain 埃斯蒂文制药股份有限公司 2019-11-29 CN disclosed
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-02 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1615699-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS INC 2004-11-04 US disclosed
WO-2004092124-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
EP-1278732-A1 1-AROYL-PIPERIDINYL BENZAMIDINES Aventis Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020045613-A1 1-aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-04-18 US disclosed
WO-2001081310-A1 1-AROYL-PIPERIDINYL BENZAMIDINES AVENTIS PHARMACEUTICALS INC. (US) 2001-11-01 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-20040220171-A1 1-Aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 DRD2 2633/4885DRD3 2646/4885HTR2C 370/4885
US-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 DRD2 2005/4885DRD3 2262/4885HTR2C 306/4885
US-20020045613-A1 1-aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 DRD2 2633/4885DRD3 2646/4885HTR2C 370/4885
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, AOC2, CBR3 DRD2 4335/4885DRD3 2251/4885HTR2C 2986/4885
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 DRD2 2005/4885DRD3 2262/4885HTR2C 306/4885
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, XDH, CYP3A43 DRD2 3596/4885DRD3 773/4885HTR2C 1340/4885

“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.