SCHEMBL16961534

SCHEMBL16961534

O=C(c1ccc2[nH]nnc2c1)N1C=C2CN(C(=O)C=Cc3ccc(-c4ccccn4)cc3)C[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.38
▸ GHSR Q92847 1/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ ABL1 P00519 3/20 0.35
▸ BCR P11274 3/20 0.35
▸ GPR183 P32249 2/20 0.34
▸ SLC6A7 Q99884 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ F2 P00734 1/20 0.33

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
SCHEMBL21313985 1.00 HTR2B (0.38) HTR2BGHSRNAMPTABL1BCR
SCHEMBL16963192 0.89 GHSR (0.35) HTR2BGHSRGPR183HPGDNPC1
SCHEMBL21313929 0.89 GHSR (0.35) HTR2BGHSRGPR183HPGDNPC1
SCHEMBL21313868 0.89 RAB9A (0.43) GPR183HPGDNPC1MAPTRAB9A
SCHEMBL16963404 0.89 RAB9A (0.43) GPR183HPGDNPC1MAPTRAB9A
SCHEMBL21314079 0.88 GPR183 (0.35) GHSRNAMPTGPR183HPGDNPC1
SCHEMBL16961653 0.88 GPR183 (0.35) GHSRNAMPTGPR183HPGDNPC1
SCHEMBL16963356 0.86 MKNK1 (0.38) HTR2BGHSRNAMPTABL1BCR
SCHEMBL21313888 0.86 MKNK1 (0.38) HTR2BGHSRNAMPTABL1BCR
SCHEMBL16961532 0.86 HTR2B (0.41) HTR2BGHSRNAMPTABL1BCR

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 3600/4885NAMPT 2194/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HTR2B 667/4885GHSR 3773/4885NAMPT 1861/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HTR2B 667/4885GHSR 3773/4885NAMPT 1861/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HTR2B 667/4885GHSR 3773/4885NAMPT 1861/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB HTR2B 788/4885GHSR 3600/4885NAMPT 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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