SCHEMBL16963405

SCHEMBL16963405

O=C(C=Cc1ccccc1)N1C[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR183 P32249 4/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ ATXN2 Q99700 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL21322924 1.00 RAB9A (0.42) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL16963403 1.00 RAB9A (0.42) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL21322985 0.92 RAB9A (0.47) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL21322987 0.92 RAB9A (0.47) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL16963007 0.92 RAB9A (0.47) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL16963005 0.92 RAB9A (0.47) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL21322914 0.88 ENPP2 (0.52) HPGDGPR183ENPP2ATXN2
SCHEMBL16962439 0.88 ENPP2 (0.52) HPGDGPR183ENPP2ATXN2
SCHEMBL16962441 0.88 ENPP2 (0.52) HPGDGPR183ENPP2ATXN2
SCHEMBL16961652 0.88 CHRNB2 (0.41) GPR183CHRNB2CHRNB4CHRNA3CHRNA7

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
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 RAB9A 753/4885NPC1 830/4885MAPT 3695/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB RAB9A 710/4885NPC1 806/4885MAPT 3799/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB RAB9A 710/4885NPC1 806/4885MAPT 3799/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB RAB9A 710/4885NPC1 806/4885MAPT 3799/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB RAB9A 753/4885NPC1 830/4885MAPT 3695/4885

“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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