SCHEMBL6041418

SCHEMBL6041418

COc1cc(COC2CN(C(=O)O)CCC2c2ccc(OCc3cnc(-c4ccccc4)s3)cc2)c(OC)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.45
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
F2RL3 Q96RI0 1/20 0.36
SSTR5 P35346 4/20 0.36
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
YAP1 P46937 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
APP P05067 1/20 0.33
PRMT5 O14744 1/20 0.33

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
SCHEMBL7073953 0.88 REN (0.42) RENHCRTR1HCRTR2F2RL3SSTR5
SCHEMBL6041666 0.88 REN (0.45) RENSSTR5PDCD1CD274NPC1
SCHEMBL6042111 0.86 REN (0.45) RENNPC1RAB9ASMN1; SMN2
SCHEMBL6043793 0.84 REN (0.56) RENSSTR5NPC1RAB9A
SCHEMBL6041644 0.84 REN (0.58) RENSSTR5NPC1RAB9A
SCHEMBL6043060 0.84 REN (0.49) RENSSTR5APP
SCHEMBL6043696 0.83 REN (0.64) REN
SCHEMBL6041262 0.83 REN (0.49) RENSSTR5SMN1; SMN2APP
SCHEMBL6041828 0.83 REN (0.48) RENPDCD1CD274
SCHEMBL6042820 0.83 REN (0.59) REN

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 REN 1485/4885HCRTR1 144/4885HCRTR2 166/4885

“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.