SCHEMBL6042397

SCHEMBL6042397

O=C(O)N1CCC(c2ccc(OCc3nc(-c4ccccc4)no3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.69
FFAR1 O14842 6/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GSTP1 P09211 3/20 0.43

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
SCHEMBL6043084 0.94 REN (0.70) RENFFAR1SMN1; SMN2MAPK1
SCHEMBL6043044 0.92 REN (0.57) RENFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL6041609 0.91 REN (0.56) RENFFAR1NPC1RAB9AL3MBTL1
SCHEMBL6041911 0.91 REN (0.57) RENFFAR1TDP1
SCHEMBL6041408 0.90 REN (0.56) RENFFAR1CASP3SENP8SENP7
SCHEMBL6042729 0.90 REN (0.55) RENFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL6042651 0.86 REN (0.50) RENNPC1RAB9ASMN1; SMN2
SCHEMBL6043947 0.86 REN (0.50) RENNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7079998 0.85 REN (0.62) RENFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL6041386 0.83 REN (0.55) 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 1485/4885FFAR1 4168/4885NPC1 418/4885

“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.