SCHEMBL6041658

SCHEMBL6041658

O=C(O)N1CCC(c2ccc(OCc3ccccc3)nc2)C(O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
ENPP2 Q13822 1/20 0.44
JAK3 P52333 1/20 0.41
GABRA5 P31644 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GRIN2B Q13224 1/20 0.40
TP53 P04637 1/20 0.40
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FFAR1 O14842 1/20 0.39
APP P05067 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP2C19 P33261 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL6041677 0.92 REN (0.46) CHRNB2CHRNA7CHRNA4ENPP2JAK3
SCHEMBL12548335 0.87 GPR119 (0.47) CHRNB2CHRNA7CHRNA4GABRA5
SCHEMBL6954969 0.85 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4ENPP2JAK3
SCHEMBL3069231 0.84 NPC1 (0.52) SMN1; SMN2TP53KDM1AMAOAMAOB
SCHEMBL6041383 0.83 TEAD3 (0.36) ENPP2SMN1; SMN2GRIN2BTP53NPC1
SCHEMBL6043867 0.83 TEAD3 (0.38) ENPP2SMN1; SMN2TP53NPC1RAB9A
SCHEMBL6041867 0.81 KDM4E (0.38) NPC1RAB9A
SCHEMBL25346956 0.80 GPR119 (0.47) GABRA5
SCHEMBL6041409 0.80 SMN1; SMN2 (0.46) SMN1; SMN2TP53NPC1RAB9A
SCHEMBL6041364 0.78 KDM4E (0.46) SMN1; SMN2TP53KDM1AMAOAMAOB

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 CHRNB2 47/4885CHRNA7 131/4885CHRNA4 66/4885

“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.