SCHEMBL6042898

SCHEMBL6042898

OC1(c2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.82
KDM4E B2RXH2 1/20 0.82
OPRL1 P41146 7/20 0.72
POLB P06746 1/20 0.68
CCR3 P51677 1/20 0.68
OPRM1 P35372 1/20 0.64
CCR1 P32246 1/20 0.55
NPC1 O15118 1/20 0.51
DRD4 P21917 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTR1D P28221 1/20 0.49

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
SCHEMBL8400209 0.91 KMT2A (0.69) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL7968189 0.87 KMT2A (0.65) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL8396393 0.85 KDM4E (0.62) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL8397903 0.84 KDM4E (0.61) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL8400506 0.84 KMT2A (0.61) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL8395687 0.83 KMT2A (0.60) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL1411499 0.83 OPRL1 (1.00) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL13543993 0.83 CCR3 (0.72) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL3903967 0.82 CCR3 (0.70) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL6579261 0.81 KMT2A (0.60) KMT2AKDM4EOPRL1POLBCCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 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-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed
EP-0814084-B1 Indole derivative as 5-HT1A antagonist and as inhibitor of serotonine reuptake LILLY CO ELI (US) 2001-08-08 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
US-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 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
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed
WO-1997048698-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1997-12-24 WO 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 (2 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 KMT2A 2702/4885KDM4E 2501/4885OPRL1 1154/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 KMT2A 1470/4885KDM4E 1905/4885OPRL1 303/4885

“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.