SCHEMBL16963871

SCHEMBL16963871

O=C(C=Cc1ccc(OC(F)(F)F)cc1)N1CCC2CN(Cc3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ENPP2 Q13822 3/20 0.39
▸ DGAT2 Q96PD7 1/20 0.39
▸ ATXN2 Q99700 1/20 0.38
▸ GPR183 P32249 4/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ MCHR1 Q99705 3/20 0.37
▸ LIPE Q05469 1/20 0.37
▸ TEAD1 P28347 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ ACHE P22303 1/20 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
SCHEMBL17311092 0.97 NAMPT (0.50) NAMPTHRH3ENPP2ATXN2GPR183
SCHEMBL17311095 0.97 NAMPT (0.50) NAMPTHRH3ENPP2ATXN2GPR183
SCHEMBL21323332 0.97 NAMPT (0.50) NAMPTHRH3ENPP2ATXN2GPR183
SCHEMBL16963382 0.87 ENPP2 (0.47) NAMPTHRH3ENPP2DGAT2ATXN2
SCHEMBL16963378 0.87 ENPP2 (0.47) NAMPTHRH3ENPP2DGAT2ATXN2
SCHEMBL16963380 0.87 ENPP2 (0.47) NAMPTHRH3ENPP2DGAT2ATXN2
SCHEMBL16963375 0.87 ENPP2 (0.47) NAMPTHRH3ENPP2DGAT2ATXN2
SCHEMBL21313933 0.85 NAMPT (0.45) NAMPTHRH3ENPP2ATXN2GPR183
SCHEMBL17311093 0.85 NAMPT (0.45) NAMPTHRH3ENPP2ATXN2GPR183
SCHEMBL21985821 0.85 ENPP2 (0.46) NAMPTHRH3ENPP2DGAT2ATXN2

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 11 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

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 NAMPT 2194/4885HRH3 2806/4885ENPP2 1716/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB NAMPT 1861/4885HRH3 2573/4885ENPP2 1981/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB NAMPT 1861/4885HRH3 2573/4885ENPP2 1981/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB NAMPT 1861/4885HRH3 2573/4885ENPP2 1981/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB NAMPT 2194/4885HRH3 2806/4885ENPP2 1716/4885

“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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