SCHEMBL334527

SCHEMBL334527

CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.74
RAB9A P51151 10/20 0.74
MAPT P10636 4/20 0.59
HCRTR1 O43613 1/20 0.58
HCRTR2 O43614 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
CNR2 P34972 1/20 0.55
TP53 P04637 2/20 0.53
MGLL Q99685 1/20 0.53
GALR3 O60755 1/20 0.53
GAA P10253 1/20 0.53
NR2F2 P24468 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL4320695 0.96 NPC1 (0.69) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL17102006 0.89 NPC1 (0.59) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL13281549 0.88 RAB9A (0.56) NPC1RAB9AMAPTTP53GAA
SCHEMBL20767905 0.88 MAPT (0.67) NPC1RAB9AMAPTTP53GAA
SCHEMBL2591810 0.87 RAB9A (0.74) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL20767913 0.87 TP53 (0.65) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL31349441 0.87 RAB9A (0.55) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL20767943 0.86 MAPT (0.69) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL29858330 0.86 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL26962611 0.86 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 US disclosed
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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 (3 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-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof MAN2A1, MAN1B1, ALG1 NPC1 1159/4885RAB9A 1295/4885MAPT 3316/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG NPC1 1742/4885RAB9A 1784/4885MAPT 4787/4885
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 NPC1 88/4885RAB9A 2101/4885MAPT 222/4885

“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.