SCHEMBL3247901

SCHEMBL3247901

O=C(CCc1ccccc1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.65
KMT2A Q03164 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 3/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GPR52 Q9Y2T5 1/20 0.58
EPHX2 P34913 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TBXAS1 P24557 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
GAA P10253 2/20 0.55
APP P05067 1/20 0.55
HCAR3 P49019 1/20 0.55

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
SCHEMBL30965433 1.00 PLOD2 (0.65) PLOD2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9475090 0.90 PLOD2 (0.60) PLOD2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4784726 0.87 RAB9A (0.63) KMT2ARAB9AMEN1LMNAALDH1A1
SCHEMBL9199313 0.86 PLOD2 (0.79) PLOD2KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9364176 0.86 KMT2A (0.52) PLOD2KMT2AEPHX2TBXAS1GAA
SCHEMBL13518169 0.85 KMT2A (0.64) PLOD2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7075878 0.84 PLOD2 (0.69) PLOD2KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL360711 0.83 PLOD2 (0.69) PLOD2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16310778 0.83 TBXAS1 (0.58) PLOD2NPC1RAB9ALMNACYP1A2
SCHEMBL30572 0.82 TDP1 (0.77) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221511-A NNP-Mn catalyst, preparation method and method for synthesizing alpha-alkyl ketone 西安近代化学研究所 2024-06-21 CN disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-0535152-B1 Bis-benzo or benzopyrido cyclo hepta piperidene, piperidylene and piperazine compounds as PAF antagonists and compositions thereof. SCHERING CORP (US) 1995-08-09 EP disclosed
US-5422351-A Antiallergens; antiinflammatory agents SCHERING CORPORATION (US) 1995-06-06 US disclosed
EP-0341860-B1 Benzopyrido piperidine, piperidylidene and piperazine compounds, compositions, methods of manufacture and methods of use SCHERING CORP (US) 1994-07-13 EP disclosed
EP-0291673-B1 TETRAHYDROPYRIDINE OXIMES, A PROCESS FOR THEIR PREPARATION AND USE THEREOF AS CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-06-02 EP disclosed
EP-0535152-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS. SCHERING CORP (US) 1993-04-07 EP disclosed
US-5104876-A Antiallergens, antiinflammatory agent SCHERING CORPORATION 1992-04-14 US disclosed
WO-1992000293-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1992-01-09 WO disclosed
US-5073561-A N-substituted-pyridinyl oximes WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
EP-0411048-A1 NOVEL BENZOPYRIDO PIPERIDINE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE SCHERING CORPORATION (US) 1991-02-06 EP disclosed
US-4929734-A ANTIINFLAMMATORY AGENTS, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
EP-0341860-A1 Benzopyrido piperidine, piperidylidene and piperazine compounds, compositions, methods of manufacture and methods of use SCHERING CORPORATION (US) 1989-11-15 EP disclosed
WO-1989010369-A1 NOVEL BENZOPYRIDO PIPERIDINE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE SCHERING CORPORATION (US) 1989-11-02 WO disclosed
US-4798841-A COGNITION ACTIVATORS, ANALGESICS WARNER-LAMBERT COMPANY (US) 1989-01-17 US disclosed
EP-0291673-A1 Tetrahydropyridine oximes, a process for their preparation and use thereof as cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-23 EP disclosed
US-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 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 (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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 PLOD2 2202/4885KMT2A 85/4885NPC1 359/4885

“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.