SCHEMBL16961536

SCHEMBL16961536

O=C(C=Cc1ccc(-c2ccccn2)cc1)N1C[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ ABL1 P00519 3/20 0.40
▸ BCR P11274 3/20 0.40
▸ SLC6A7 Q99884 2/20 0.39
▸ GPR183 P32249 5/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ TGFBR1 P36897 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35

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
SCHEMBL16961532 1.00 HTR2B (0.41) HTR2BGHSRABL1BCRSLC6A7
SCHEMBL20101595 0.89 HTR2B (0.49) HTR2BGHSRABL1BCRSLC6A7
SCHEMBL16963190 0.88 GHSR (0.39) HTR2BGHSRGPR183HPGD
SCHEMBL16963193 0.88 GHSR (0.39) HTR2BGHSRGPR183HPGD
SCHEMBL21322924 0.87 RAB9A (0.42) GPR183HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL16963403 0.87 RAB9A (0.42) GPR183HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL16963405 0.87 RAB9A (0.42) GPR183HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL16961652 0.87 CHRNB2 (0.41) GHSRGPR183KCNH2CHRNB2CHRNB4
SCHEMBL16961655 0.87 CHRNB2 (0.41) GHSRGPR183KCNH2CHRNB2CHRNB4
SCHEMBL21323230 0.87 CHRNB2 (0.41) GHSRGPR183KCNH2CHRNB2CHRNB4

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 HTR2B 788/4885GHSR 3600/4885ABL1 230/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HTR2B 667/4885GHSR 3773/4885ABL1 315/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HTR2B 667/4885GHSR 3773/4885ABL1 315/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HTR2B 667/4885GHSR 3773/4885ABL1 315/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB HTR2B 788/4885GHSR 3600/4885ABL1 230/4885

“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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