SCHEMBL16963769

SCHEMBL16963769

O=C(C=Cc1ccncc1)N1CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]2CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 15/20 0.42
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNB4 P30926 2/20 0.41
▸ CHRNA3 P32297 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ ATXN2 Q99700 1/20 0.40
▸ KCNH2 Q12809 3/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL16963767 1.00 GPR183 (0.42) GPR183CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21322911 1.00 GPR183 (0.42) GPR183CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21322987 0.92 RAB9A (0.47) GPR183ENPP2ATXN2NPC1MAPT
SCHEMBL21322985 0.92 RAB9A (0.47) GPR183ENPP2ATXN2NPC1MAPT
SCHEMBL16963007 0.92 RAB9A (0.47) GPR183ENPP2ATXN2NPC1MAPT
SCHEMBL16963005 0.92 RAB9A (0.47) GPR183ENPP2ATXN2NPC1MAPT
SCHEMBL21322986 0.90 GPR183 (0.48) GPR183ENPP2ATXN2KCNH2NPC1
SCHEMBL21323086 0.90 GPR183 (0.48) GPR183ENPP2ATXN2KCNH2NPC1
SCHEMBL21323348 0.90 GPR183 (0.48) GPR183ENPP2ATXN2KCNH2NPC1
SCHEMBL21322984 0.90 GPR183 (0.48) GPR183ENPP2ATXN2KCNH2NPC1

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 2409/4885CHRNB2 2107/4885CHRNB4 1950/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB GPR183 2036/4885CHRNB2 2243/4885CHRNB4 2271/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB GPR183 2036/4885CHRNB2 2243/4885CHRNB4 2271/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB GPR183 2036/4885CHRNB2 2243/4885CHRNB4 2271/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB GPR183 2409/4885CHRNB2 2107/4885CHRNB4 1950/4885

“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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