SCHEMBL3593984

SCHEMBL3593984

[NH]c1cccc2c1CCC(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
MAPT P10636 1/20 0.44
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
OPRK1 P41145 1/20 0.40
AHR P35869 1/20 0.39
PDK2 Q15119 1/20 0.39
SRD5A1 P18405 1/20 0.39
CRBN Q96SW2 1/20 0.39
CA9 Q16790 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
SCHEMBL29732360 0.78 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29863302 0.78 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL98299 0.78 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1764170 0.78 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3723532 0.78 SRD5A1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL18885726 0.78 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2234486 0.78 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3212830 0.78 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL837526 0.78 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL30511168 0.78 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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 (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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 NPC1 2542/4885MAPK13 1450/4885MAPK12 2386/4885

“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.