SCHEMBL6042313

SCHEMBL6042313

O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3c(c2)CCCC3)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.39
MC4R P32245 2/20 0.37
KDM1A O60341 2/20 0.36
MAOB P27338 1/20 0.36
TACR1 P25103 2/20 0.36
RXRA P19793 3/20 0.36
RXRG P48443 3/20 0.36
RAB9A P51151 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
REN P00797 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
PREP P48147 1/20 0.35
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 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
SCHEMBL6042942 0.99 RXRB (0.41) RXRBMC4RKDM1AMAOBTACR1
SCHEMBL6041769 0.84 REN (0.42) REN
SCHEMBL6043496 0.84 REN (0.50) REN
SCHEMBL6042663 0.83 REN (0.46) RENPREP
SCHEMBL6041771 0.83 REN (0.41) REN
SCHEMBL6041724 0.82 LMNA (0.43) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6042724 0.82 REN (0.58) RXRBREN
SCHEMBL6042033 0.82 REN (0.45) KDM1AMAOBRAB9AALDH1A1SMN1; SMN2
SCHEMBL6042266 0.82 REN (0.44) MC4RKDM1AMAOBALDH1A1SMN1; SMN2
SCHEMBL6041559 0.81 SIGMAR1 (0.38) KDM1AMAOBALDH1A1GAAMAPT

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 RXRB 1507/4885MC4R 2599/4885KDM1A 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.