SCHEMBL6042975

SCHEMBL6042975

O=C(O)N1CCC(c2ccc(OCCCc3ccccc3)cc2)C(O)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.53
FFAR1 O14842 2/20 0.47
KDM1A O60341 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
S1PR3 Q99500 3/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL6041689 0.97 S1PR1 (0.50) S1PR1FFAR1KDM1AMAOAMAOB
SCHEMBL6041843 0.91 RAB9A (0.45) S1PR1KDM1AKDM4EALDH1A1LMNA
SCHEMBL3193386 0.91 RAB9A (0.45) S1PR1KDM1AKDM4EALDH1A1LMNA
SCHEMBL6042634 0.90 KDM1A (0.46) S1PR1FFAR1KDM1AMAOAMAOB
SCHEMBL6043844 0.90 MEN1 (0.45) S1PR1KDM1AMAOAMAOBALDH1A1
SCHEMBL6041364 0.89 KDM4E (0.46) S1PR1KDM1AMAOAMAOBKDM4E
SCHEMBL3069231 0.89 NPC1 (0.52) KDM1AMAOAMAOBKDM4EALDH1A1
SCHEMBL6041480 0.86 S1PR1 (0.40) S1PR1KDM1AMAOAMAOBKDM4E
SCHEMBL6042939 0.85 ALDH1A1 (0.40) S1PR1KDM1AKDM4EALDH1A1LMNA
SCHEMBL3066821 0.84 SMN1; SMN2 (0.47) KDM1AMAOBKDM4EALDH1A1

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 4 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
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

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 S1PR1 1345/4885FFAR1 4168/4885KDM1A 1891/4885

“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.