SCHEMBL16963641

SCHEMBL16963641

N#Cc1ccc(C=CC(=O)N2CC[C@@H]3CN(C(=O)c4ccc5[nH]nnc5c4)C[C@@H]3CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 11/20 0.50
▸ APP P05067 1/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ ATXN2 Q99700 1/20 0.38
▸ FASN P49327 4/20 0.37

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
SCHEMBL21323087 1.00 GPR183 (0.50) GPR183APPKCNH2KDM1AENPP2
SCHEMBL16963638 1.00 GPR183 (0.50) GPR183APPKCNH2KDM1AENPP2
SCHEMBL21323088 1.00 GPR183 (0.50) GPR183APPKCNH2KDM1AENPP2
SCHEMBL17311044 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL16963179 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL16963181 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL21323319 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL17311040 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL21323089 0.93 GPR183 (0.49) GPR183APPKCNH2FASN
SCHEMBL16962290 0.93 GPR183 (0.49) GPR183APPKCNH2FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US claimed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP claimed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US claimed
US-20150353559-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-10 — — US claimed
EP-2900669-A1 NEW BICYCLIC DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-08-05 — — EP claimed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US disclosed
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US disclosed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 — — US disclosed
US-20150353559-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-10 — — US disclosed
EP-2900669-A1 NEW BICYCLIC DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-08-05 — — 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 (5 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-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB GPR183 2409/4885APP 2294/4885KCNH2 193/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB GPR183 2036/4885APP 3032/4885KCNH2 283/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB GPR183 2036/4885APP 3032/4885KCNH2 283/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB GPR183 2036/4885APP 3032/4885KCNH2 283/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB GPR183 2409/4885APP 2294/4885KCNH2 193/4885

“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.

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