SCHEMBL16961655

SCHEMBL16961655

O=C(C=Cc1ccc(-c2ccncc2)cc1)N1C[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ GPR183 P32249 7/20 0.40
▸ GHSR Q92847 1/20 0.37
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ P4HB P07237 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ ATXN2 Q99700 1/20 0.36
▸ KCNH2 Q12809 2/20 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
SCHEMBL21323230 1.00 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16961652 1.00 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16963353 0.90 MKNK1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16963359 0.90 MKNK1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL20101593 0.88 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16963405 0.88 RAB9A (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL21322924 0.88 RAB9A (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16963403 0.88 RAB9A (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL21322911 0.87 GPR183 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL21323334 0.87 GPR183 (0.49) GPR183P4HBENPP2ATXN2KCNH2

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 CHRNB2 2107/4885CHRNB4 1950/4885CHRNA3 1726/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB CHRNB2 2243/4885CHRNB4 2271/4885CHRNA3 1792/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB CHRNB2 2243/4885CHRNB4 2271/4885CHRNA3 1792/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB CHRNB2 2243/4885CHRNB4 2271/4885CHRNA3 1792/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB CHRNB2 2107/4885CHRNB4 1950/4885CHRNA3 1726/4885

“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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