SCHEMBL2591097

SCHEMBL2591097

OC1(c2ccc(Br)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.79
POLB P06746 1/20 0.77
CCR3 P51677 2/20 0.76
DRD4 P21917 4/20 0.60
DRD2 P14416 3/20 0.60
DRD3 P35462 3/20 0.60
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.57
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 1/20 0.54
CCR5 P51681 1/20 0.53

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 SCHEMBL3146791 0.98 POLB (0.80) OPRL1POLBCCR3DRD4DRD2
SCHEMBL19330890 0.91 KDM4E (0.66) OPRL1POLBCCR3DRD4DRD2
SCHEMBL1411499 0.89 OPRL1 (1.00) OPRL1POLBCCR3DRD4OPRM1
SCHEMBL653218 0.86 CCR3 (1.00) OPRL1POLBCCR3DRD4DRD2
SCHEMBL3890625 0.86 OPRL1 (0.82) OPRL1POLBCCR3DRD4DRD2
SCHEMBL27563251 0.85 SIGMAR1 (0.68) OPRL1POLBCCR3DRD4DRD2
SCHEMBL15530820 0.85 OPRL1 (0.79) OPRL1POLBCCR3DRD4OPRM1
SCHEMBL3898508 0.85 OPRL1 (0.79) OPRL1POLBCCR3DRD4OPRM1
SCHEMBL6110923 0.85 OPRL1 (0.79) OPRL1POLBCCR3DRD4DRD2
SCHEMBL28525891 0.84 CCR3 (0.89) OPRL1POLBCCR3DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442977-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE Blueprint Medicines Corporation (US) 2019-02-20 EP disclosed
WO-2017181117-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2017-10-19 WO disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
CN-104507940-A Heterocyclic compounds TAKEDA PHARMACEUTICAL 2015-04-08 CN disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
US-8354402-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-15 US disclosed
US-20110269747-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS MEERPOEL LIEVEN 2011-11-03 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 WO disclosed
US-20040014971-A1 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 US disclosed
EP-1317431-A2 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-06-11 EP disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
WO-2002020501-A2 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-14 WO 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

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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 OPRL1 2362/4885POLB 2926/4885CCR3 4092/4885
US-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 OPRL1 4208/4885POLB 3103/4885CCR3 2467/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 OPRL1 4208/4885POLB 3103/4885CCR3 2467/4885
US-20110269747-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, APOB OPRL1 3727/4885POLB 2420/4885CCR3 4526/4885
US-20040014971-A1 Polyarylcarboxamides useful as lipid lowering agents SREBF1, LIPC, CPT1A OPRL1 3589/4885POLB 2872/4885CCR3 4518/4885

“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.