SCHEMBL12299461

SCHEMBL12299461

Cc1sc2nc(C(C)(C)C)cn2c1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL12241840 0.78 RAB9A (0.35) NPC1RAB9AMAPT
SCHEMBL13424020 0.68 HDAC6 (0.55) NPC1RAB9AMAPT
SCHEMBL12299447 0.68 CYP19A1 (0.43) NPC1RAB9AMAPT
SCHEMBL9597537 0.67 ALOX15 (0.35) NPC1RAB9AMAPT
SCHEMBL5553168 0.67 RAB9A (0.65) NPC1RAB9AMAPT
SCHEMBL12299450 0.67 TP53 (0.50) NPC1RAB9AMAPT
SCHEMBL23585284 0.67 NPC1 (0.34) NPC1RAB9AMAPT
SCHEMBL13424022 0.64 HDAC6 (0.39) NPC1RAB9AMAPT
SCHEMBL5325733 0.64 IDO1 (0.47) NPC1RAB9AMAPT
SCHEMBL18634497 0.63 KDM4E (0.33) NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES PFIZER INC. (US) 2014-03-20 US disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 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 (2 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-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES GIPR, GLP1R, GHSR NPC1 1017/4885RAB9A 1048/4885MAPT 4349/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR NPC1 1028/4885RAB9A 1030/4885MAPT 4319/4885

“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.