SCHEMBL11942222

SCHEMBL11942222

CCCCOc1ccc(NCCCCCNSC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PPARG P37231 1/20 0.40
ABL1 P00519 1/20 0.40
NR5A1 Q13285 1/20 0.40
FAAH O00519 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 2/20 0.38
CA7 P43166 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
SCHEMBL11638369 0.82 NR5A1 (0.58) NPC1RAB9ANR5A1FAAHTSHR
SCHEMBL26632609 0.82 NR5A1 (0.58) NPC1RAB9ANR5A1FAAHTSHR
SCHEMBL10714885 0.80 NPC1 (0.58) NPC1RAB9APPARGNR5A1FAAH
SCHEMBL13438614 0.80 HPGD (0.43) NPC1RAB9AABL1GAAALDH1A1
SCHEMBL2094121 0.80 NPC1 (0.53) NPC1RAB9APPARGNR5A1FAAH
SCHEMBL13972902 0.80 L3MBTL1 (0.59) NPC1RAB9AGAAALDH1A1S1PR1
SCHEMBL11934798 0.78 GAA (0.46) NPC1RAB9APPARGNR5A1FAAH
SCHEMBL18893490 0.77 NPC1 (0.53) NPC1RAB9APPARGNR5A1FAAH
SCHEMBL11934985 0.76 NPC1 (0.48) NPC1RAB9AFAAHALDH1A1S1PR1
SCHEMBL11354903 0.76 GAA (0.58) NPC1RAB9AABL1NR5A1GAA

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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R NPC1 2946/4885RAB9A 2804/4885PPARG 295/4885

“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.