SCHEMBL16963665

SCHEMBL16963665

O=C(C=Cc1ccc(OC(F)(F)F)cc1)N1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C[C@@H]2CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATXN2 Q99700 8/20 0.42
▸ ENPP2 Q13822 7/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ CCR2 P41597 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ GPR183 P32249 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ STAT3 P40763 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CA2 P00918 2/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL16961712 1.00 ATXN2 (0.42) ATXN2ENPP2NAMPTCCR2HRH3
SCHEMBL16961709 1.00 ATXN2 (0.42) ATXN2ENPP2NAMPTCCR2HRH3
SCHEMBL16961685 1.00 ATXN2 (0.42) ATXN2ENPP2NAMPTCCR2HRH3
SCHEMBL16961680 1.00 ATXN2 (0.42) ATXN2ENPP2NAMPTCCR2HRH3
SCHEMBL16963662 1.00 ATXN2 (0.42) ATXN2ENPP2NAMPTCCR2HRH3
SCHEMBL16963357 0.94 ENPP2 (0.41) ATXN2ENPP2NAMPTCCR2HRH3
SCHEMBL20101590 0.94 ENPP2 (0.41) ATXN2ENPP2NAMPTCCR2HRH3
SCHEMBL16963361 0.94 ENPP2 (0.41) ATXN2ENPP2NAMPTCCR2HRH3
SCHEMBL18082349 0.91 ENPP2 (0.41) ATXN2ENPP2NAMPTCCR2HRH3
SCHEMBL16961684 0.86 ENPP2 (0.40) ATXN2ENPP2NAMPTCCR2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US 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
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 ATXN2 669/4885ENPP2 1716/4885NAMPT 2194/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ATXN2 791/4885ENPP2 1981/4885NAMPT 1861/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ATXN2 791/4885ENPP2 1981/4885NAMPT 1861/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ATXN2 791/4885ENPP2 1981/4885NAMPT 1861/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB ATXN2 669/4885ENPP2 1716/4885NAMPT 2194/4885

“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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