SCHEMBL7044652

SCHEMBL7044652

NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.69
CYP2D6 P10635 2/20 0.65
HTR1A P08908 2/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
THPO P40225 1/20 0.65
MTOR P42345 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HTR7 P34969 5/20 0.65
DRD2 P14416 1/20 0.58
ADRA1A P35348 1/20 0.58

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
SCHEMBL3209307 0.96 SIGMAR1 (0.71) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2
SCHEMBL3457736 0.92 SIGMAR1 (0.69) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2
SCHEMBL11465528 0.91 SIGMAR1 (0.76) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL11280918 0.90 SIGMAR1 (0.67) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2
SCHEMBL2090542 0.86 SIGMAR1 (0.69) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2
SCHEMBL11405931 0.86 SIGMAR1 (0.69) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2
SCHEMBL1253143 0.86 SIGMAR1 (0.69) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2
SCHEMBL9559659 0.86 SIGMAR1 (0.69) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2
SCHEMBL13875120 0.86 SIGMAR1 (0.69) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2
SCHEMBL13875122 0.85 SIGMAR1 (0.71) SIGMAR1CYP2D6HTR1AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388584-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME SHANGHAI RAISING PHARMACEUTICAL CO LTD (CN) 2025-12-25 US disclosed
EP-4556007-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME Shanghai Raising Pharmaceutical Co., Ltd. (CN) 2025-05-21 EP disclosed
CN-120000655-A Use of N- {4- [ (4-methylbenzyl) oxy ] benzyl } -N- (4-piperidylmethyl) amine 南京大学 2025-05-16 CN disclosed
WO-2024012554-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME 上海日馨医药科技股份有限公司 2024-01-18 WO disclosed
EP-0771197-B1 USE OF HETEROCYCLIC COMPOUNDS AS DOPAMINES-D 3- LIGANDS BASF AG (DE) 2003-04-09 EP disclosed
US-6090807-A Use of heterocyclic compounds BASF AKTIENGESELLSCHAFT (DE) 2000-07-18 US disclosed
EP-0707571-B1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1997-05-02 EP disclosed
US-5591743-A ANXIOLYTIC DRUGS OR HYPOTENSIVE AGENTS PIERRE FABRE MEDICAMENT (FR) 1997-01-07 US disclosed
EP-0707571-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1996-04-24 EP disclosed
WO-1995001965-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PIERRE FABRE MEDICAMENT (FR) 1995-01-19 WO disclosed
US-4585773-A DIURETIC, HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1986-04-29 US disclosed
EP-0048045-A1 Phenyl piperazine derivatives having antiagressive activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-03-24 EP 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-20250388584-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME PDXK, SLC19A2, NADK SIGMAR1 1229/4885CYP2D6 232/4885HTR1A 469/4885

“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.