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Sugi Predict / Compounds / 6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine

6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine

6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine

SCHEMBL2704396

CCO.c1cnc2c(c1)CNC2

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of 6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ CYP2D6 P10635 4/20 0.34
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TIPARP Q7Z3E1 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ PNMT P11086 1/20 0.31
▸ CD44 P16070 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ NAMPT P43490 1/20 0.30

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
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL103669 0.89 — —
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL29617701 0.89 — —
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL4573663 0.87 PNMT (0.35) DRD2DRD3CYP2D6ADRA2AADRA2B
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL3809748 0.87 PNMT (0.35) DRD2DRD3CYP2D6ADRA2AADRA2B
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL30582725 0.87 PNMT (0.35) DRD2DRD3CYP2D6ADRA2AADRA2B
SCHEMBL31339036 0.72 DRD2 (0.42) DRD2DRD3CYP2D6ADRA2AADRA2C
SCHEMBL31339018 0.72 DRD2 (0.42) DRD2DRD3CYP2D6ADRA2AADRA2C
SCHEMBL588622 0.72 PNMT (0.52) PNMTCD44MAOB
SCHEMBL12822 0.72 PNMT (0.52) PNMTCD44MAOB
SCHEMBL30331914 0.72 PNMT (0.52) PNMTCD44MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — 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 (1 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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 DRD2 2490/4885DRD3 1576/4885DPP8 7/4885

“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.