SCHEMBL16963192

SCHEMBL16963192

O=C(c1ccc2[nH]nnc2c1)N1C=C2CN(C(=O)C=Cc3ccc(-c4ccccc4)nc3)C[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ 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
▸ GPR183 P32249 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ APP P05067 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32

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
SCHEMBL21313929 1.00 GHSR (0.35) GHSRHPGDNPC1MAPTRAB9A
SCHEMBL21313985 0.89 HTR2B (0.38) GHSRHPGDNPC1MAPTRAB9A
SCHEMBL16961534 0.89 HTR2B (0.38) GHSRHPGDNPC1MAPTRAB9A
SCHEMBL21313868 0.89 RAB9A (0.43) HPGDNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL16963404 0.89 RAB9A (0.43) HPGDNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL21313927 0.87 HTR2B (0.36) GHSRHPGDNPC1MAPTRAB9A
SCHEMBL16963202 0.87 HTR2B (0.36) GHSRHPGDNPC1MAPTRAB9A
SCHEMBL16963193 0.86 GHSR (0.39) GHSRHPGDGPR183HTR2B
SCHEMBL16963190 0.86 GHSR (0.39) GHSRHPGDGPR183HTR2B
SCHEMBL16963356 0.85 MKNK1 (0.38) GHSRHPGDGPR183HTR2B

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 GHSR 3600/4885HPGD 2461/4885NPC1 830/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB GHSR 3773/4885HPGD 1949/4885NPC1 806/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB GHSR 3773/4885HPGD 1949/4885NPC1 806/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB GHSR 3773/4885HPGD 1949/4885NPC1 806/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB GHSR 3600/4885HPGD 2461/4885NPC1 830/4885

“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.

Send feedback