SCHEMBL615579

SCHEMBL615579

OC1(c2ccc3c(c2)OCO3)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC6A3 Q01959 4/20 0.48
SLC6A4 P31645 3/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1D P28221 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 2/20 0.44

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
Hydrochloric Acid SCHEMBL6734307 0.98 DRD2 (0.49) DRD2LMNAGAAMAPK1HTT
SCHEMBL8636443 0.90 DRD2 (0.50) DRD2LMNAGAAMAPK1HTT
SCHEMBL8192038 0.81 HTR1D (0.64) HTR1D
SCHEMBL615620 0.79 GAA (0.53) LMNAGAAMAPK1HTTNPSR1
Hydrochloric Acid SCHEMBL28980512 0.79 SLC6A3 (0.48) LMNASLC6A3SLC6A4ALDH1A1KMT2A
SCHEMBL7299582 0.78 SLC6A3 (0.50) SLC6A3SLC6A4ALDH1A1
SCHEMBL7299697 0.78 DRD2 (0.47) DRD2LMNAGAAMAPK1SLC6A3
SCHEMBL613620 0.78 GAA (0.50) LMNAGAAMAPK1HTTNPSR1
SCHEMBL12526220 0.78 HTR1D (0.52) MEN1ALDH1A1KMT2AHTR1D
SCHEMBL8806322 0.76 DRD2 (0.46) DRD2SLC6A4SMN1; SMN2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed
EP-0459256-B1 Oxazolidinones with CNS-depressant activity MERCK PATENT GMBH (DE) 1995-07-12 EP disclosed
US-5232931-A OXAZOLIDINONES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0459256-A1 Oxazolidinones with CNS-depressant activity MERCK PATENT GmbH (DE) 1991-12-04 EP disclosed
US-3982001-A ANALGESICS SANDOZ, INC. (US) 1976-09-21 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 (4 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR DRD2 89/4885LMNA 1198/4885GAA 4804/4885
US-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 DRD2 3805/4885LMNA 3390/4885GAA 1839/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR DRD2 89/4885LMNA 1198/4885GAA 4804/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A DRD2 62/4885LMNA 3559/4885GAA 4054/4885

“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.