SCHEMBL980701

SCHEMBL980701

O=C(O)c1nc(C2CC2)sc1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
HCRTR1 O43613 8/20 0.40
HCRTR2 O43614 8/20 0.40
DHODH Q02127 2/20 0.38
TSPO P30536 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PIM1 P11309 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL985107 0.85 KDM4E (0.42) UBE2MDCUN1D1HCRTR1HCRTR2NPC1
SCHEMBL924414 0.81 HCRTR1 (0.47) HCRTR1HCRTR2POLBNPC1RAB9A
SCHEMBL27824200 0.81 AKR1B1 (0.42) UBE2MDCUN1D1HCRTR1HCRTR2POLB
SCHEMBL982439 0.79 PIN1 (0.49) UBE2MDCUN1D1HCRTR1HCRTR2PIM1
SCHEMBL3006440 0.79 NPC1 (0.41) HCRTR1HCRTR2DHODHPOLBNPC1
SCHEMBL3053187 0.78 UBE2M (0.40) UBE2MDCUN1D1HCRTR1HCRTR2TSPO
SCHEMBL924717 0.78 HCRTR1 (0.50) HCRTR1HCRTR2ALDH1A1
SCHEMBL1969038 0.77 ALDH1A1 (0.47) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL30775061 0.77 HCRTR1 (0.53) HCRTR1HCRTR2DHODHTSPOOPRK1
SCHEMBL269323 0.77 HCRTR1 (0.53) HCRTR1HCRTR2DHODHTSPOOPRK1

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 24 patents — showing the first 20. 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
CN-102015645-B Piperidine and pyrrolidine compounds ACTELION PHARMACEUTICALS LTD 2012-11-14 CN 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
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed
CN-101568536-B 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-12-28 CN 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
EP-2318367-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-05-11 EP disclosed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP disclosed
CN-102015645-A Piperidine and pyrrolidine compounds ACTELION PHARMACEUTICALS LTD 2011-04-13 CN 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
CN-101711247-A 2-cyclopropyl-thiazole derivatives ACTELION PHARMACEUTICALS LTD 2010-05-19 CN disclosed
EP-2155739-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-02-24 EP disclosed
WO-2009133522-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-05 WO disclosed
CN-101568536-A 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN disclosed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO disclosed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 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 (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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 UBE2M 4536/4885DCUN1D1 2154/4885HCRTR1 2/4885
US-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES HCRTR2, HCRTR1, NPY2R UBE2M 4686/4885DCUN1D1 3934/4885HCRTR1 2/4885

“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.