SCHEMBL5953471

SCHEMBL5953471

CC(=O)OCCN1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6971664 1.00 SLC18A3 (0.49) SLC18A3MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6498838 0.98 SLC18A3 (0.48) SLC18A3MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7421281 0.98 SLC18A3 (0.48) SLC18A3MEN1KMT2AALDH1A1KDM4E
SCHEMBL28024374 0.93 CXCR4 (0.49) SLC18A3MEN1KMT2AALDH1A1KDM4E
SCHEMBL7422727 0.90 MEN1 (0.51) SLC18A3MEN1KMT2AALDH1A1KDM4E
SCHEMBL9061088 0.89 SLC18A3 (0.43) SLC18A3MEN1KMT2AALDH1A1KDM4E
SCHEMBL21750427 0.89 HRH2 (0.46) SLC18A3MEN1KMT2AALDH1A1KDM4E
SCHEMBL20609092 0.86 SLC18A3 (0.56) SLC18A3MEN1KMT2AALDH1A1CHRM5
SCHEMBL9328257 0.86
SCHEMBL9423512 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997045422-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE 10-AMINOALIPHATYL-DIBENZ[b,f]OXEPINE SALTS NOVARTIS AG (CH) 1997-12-04 WO claimed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
WO-2023093845-A1 CHIMERIC COMPOUND FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-06-01 WO disclosed
US-5270312-A Substituted piperazines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1993-12-14 US disclosed
EP-0556332-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP disclosed
EP-0556329-A1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP disclosed
WO-1992007832-A2 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed
WO-1992007831-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed
US-4243805-A 3 Fluoro-10-piperazino-8-substituted 10,11-dihydrodibenzo-(bf) thiepins and method for the preparation thereof SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1981-01-06 US disclosed
US-4035385-A NEUROLEPTIC AGENTS, PROPYNYLAMINE-SUBSTITUTED HOFFMANN-LA ROCHE INC. (US) 1977-07-12 US disclosed
US-4035386-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-07-12 US disclosed
US-4028348-A 6-Amino-5β,19-cycloandrostane derivatives RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1977-06-07 US disclosed
US-4005105-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-01-25 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 (5 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-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SLC18A3 4800/4885MEN1 348/4885KMT2A 2081/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 SLC18A3 2416/4885MEN1 4071/4885KMT2A 3556/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 SLC18A3 2416/4885MEN1 4071/4885KMT2A 3556/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A SLC18A3 2326/4885MEN1 3345/4885KMT2A 3260/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SLC18A3 4800/4885MEN1 348/4885KMT2A 2081/4885

“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.