SCHEMBL6041772

SCHEMBL6041772

OC1(c2cccc(Br)c2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
SLC6A4 P31645 2/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRND Q07001 1/20 0.42
OPRM1 P35372 4/20 0.41
SIGMAR1 Q99720 1/20 0.39
AKT1 P31749 2/20 0.37
HTR2C P28335 1/20 0.36
HTR2A P28223 1/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
OPRL1 P41146 3/20 0.35

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
SCHEMBL23232243 0.87 CHRNA1 (0.44) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL30820875 0.87 CHRNA1 (0.44) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7144286 0.83 CHRNA1 (0.42) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7136098 0.83 ALDH1A1 (0.42) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL971031 0.81 SMN1; SMN2 (0.41) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL15823214 0.81 SMN1; SMN2 (0.41) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL8811286 0.81 DRD2 (0.50) DRD2OPRM1SIGMAR1HTR2CTACR1
SCHEMBL6681808 0.80 DRD2 (0.50) DRD2SLC6A4SLC6A2OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL6811788 0.79 DRD2 (0.48) DRD2SLC6A4SLC6A2OPRM1SIGMAR1
SCHEMBL932071 0.79 CHRNA1 (0.42) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209664-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-30 EP disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US 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
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
US-4166853-A Antihypertensive 7-trifluoromethyl-4-aminoquinolones THE UPJOHN COMPANY (US) 1979-09-04 US disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 DRD2 2550/4885SLC6A4 3264/4885CHRNA1 253/4885

“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.