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SCHEMBL980677

SCHEMBL980677

CN(C)c1nc(C(=O)O)c(-c2cccc(F)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.50
▸ TRPM8 Q7Z2W7 8/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ KMO O15229 2/20 0.42
▸ ALDH1A2 O94788 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40

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
SCHEMBL2056772 0.86 KDM4E (0.48) TRPM8PTGDR2ALDH1A2KDM4ESMN1; SMN2
SCHEMBL1340321 0.85 PIN1 (0.49) PIN1KMOCSNK1D
SCHEMBL980993 0.84 ALDH1A1 (0.47) PIN1KDM4ESMN1; SMN2
SCHEMBL984930 0.84 PIN1 (0.49) PIN1KMOSMN1; SMN2
SCHEMBL984151 0.83 MAPK14 (0.41) PTGDR2CSNK2A1
SCHEMBL3345496 0.83 KMO (0.45) KMO
SCHEMBL269961 0.82 PIN1 (0.57) PIN1TRPM8KMOKDM4ESMN1; SMN2
SCHEMBL980763 0.82 PIN1 (0.51) PIN1KDM4ESMN1; SMN2
SCHEMBL3003054 0.81 PIN1 (0.55) PIN1TRPM8PTGDR2KMOKDM4E
SCHEMBL496186 0.80 PIN1 (0.53) PIN1TRPM8KMOKDM4ESMN1; SMN2

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
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
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 — — US disclosed
CN-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 — — 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
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 — — US 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-101965343-A 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 — — CN disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 — — US disclosed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 — — EP disclosed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 — — EP disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 — — US disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 — — EP disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 — — WO 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-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 — — 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 (4 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR PIN1 2207/4885TRPM8 237/4885PTGDR2 562/4885
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 PIN1 1782/4885TRPM8 655/4885PTGDR2 530/4885
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 PIN1 3800/4885TRPM8 705/4885PTGDR2 368/4885
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 PIN1 3660/4885TRPM8 596/4885PTGDR2 203/4885

“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.