Sugi Predict

Sugi Predict / Compounds / SCHEMBL7995302

SCHEMBL7995302

SCHEMBL7995302

Bc1sc(C2CC2)nc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ RAF1 P04049 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ PKM P14618 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ SLC6A3 Q01959 4/20 0.31
▸ 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
SCHEMBL22455546 0.83 ALDH1A1 (0.43) HPGDALDH1A1KMT2AKDM4EMEN1
SCHEMBL25377155 0.81 NPSR1 (0.42) NPSR1HPGDLMNAAHRRAF1
SCHEMBL7995864 0.80 HCAR2 (0.35) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL8153820 0.77 RAF1 (0.42) NPSR1HPGDLMNAAHRRAF1
SCHEMBL20495112 0.75 NPSR1 (0.40) NPSR1HPGDLMNAAHRRAF1
SCHEMBL2632700 0.74 NPSR1 (0.50) NPSR1HPGDALDH1A1KMT2AKDM4E
SCHEMBL8071199 0.74 ALDH1A1 (0.55) NPSR1HPGDALDH1A1KMT2AKDM4E
SCHEMBL275767 0.74 NPSR1 (0.50) NPSR1HPGDLMNARAF1ALDH1A1
SCHEMBL8041183 0.74 ALDH1A1 (0.36) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL925007 0.74 KDM4E (0.63) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 — — EP disclosed
US-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
US-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 — — US disclosed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 — — US disclosed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 — — US disclosed
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 — — US disclosed
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 — — US disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 — — US disclosed
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 — — US disclosed
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 — — US disclosed
EP-2155739-B1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 — — EP disclosed
US-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 — — US disclosed
US-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 — — US disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 — — US disclosed
WO-2009133522-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-05 — — WO disclosed
WO-2009016564-A2 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 — — WO disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 — — WO 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 (6 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 NPSR1 11/4885HPGD 1267/4885LMNA 2389/4885
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 NPSR1 12/4885HPGD 854/4885LMNA 3001/4885
US-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES HCRTR2, HCRTR1, NPY2R NPSR1 17/4885HPGD 1868/4885LMNA 4112/4885
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 NPSR1 26/4885HPGD 869/4885LMNA 3036/4885
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES HCRTR2, HCRTR1, NPY2R NPSR1 46/4885HPGD 1967/4885LMNA 2984/4885
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS HCRTR1, HCRTR2, NPY1R NPSR1 4/4885HPGD 1326/4885LMNA 907/4885

“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.