SCHEMBL980656

SCHEMBL980656

CC(=O)CNc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ROCK2 O75116 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
CXCL8 P10145 1/20 0.45
POLB P06746 1/20 0.45
ANPEP P15144 1/20 0.44
KCNQ2 O43526 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL158175 0.82 CXCL8 (0.54) MEN1KMT2AROCK2CYP1A2HPGD
SCHEMBL29620332 0.82 MEN1 (0.50) MEN1KMT2AROCK2ALDH1A1CYP1A2
SCHEMBL29512015 0.82 CXCL8 (0.54) MEN1KMT2AROCK2CYP1A2HPGD
SCHEMBL19808776 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL1417236 0.81 POLB (0.48) MEN1KMT2AROCK2ALDH1A1CYP1A2
SCHEMBL19808778 0.81 HTT (0.46) MEN1KMT2AROCK2ALDH1A1CYP1A2
SCHEMBL29512022 0.81 POLB (0.48) MEN1KMT2AROCK2ALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL23300490 0.81 CXCL8 (0.53) MEN1KMT2AROCK2CYP1A2HPGD
SCHEMBL6314444 0.81 CYP1A2 (0.51) MEN1KMT2AROCK2ALDH1A1CYP1A2
SCHEMBL28306745 0.81 CXCL8 (0.53) MEN1KMT2AROCK2CYP1A2HPGD

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-7875626-B2 3,3,3-trifluoropropane-1-sulfonic acid 4-[1-(2-chlorophenyl)-3-methyl-4-oxo-5-piperidin-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-yl]phenyl ester; treatment of obesity, psychiatric and neurological disorders ASTRAZENECA AB (SE) 2011-01-25 US disclosed
WO-2009147170-A2 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2009-12-10 WO disclosed
EP-1937679-B1 PREPARATION AND USE OF TETRAHYDROPYRROLO [3, 2-C] PYRIDIN-4-ONE DERIVATIVES FOR TREATMENT OF OBESITY, PSYCHIATRIC AND NEUROLOGICAL DISORDERS ASTRAZENECA AB (SE) 2009-08-19 EP disclosed
US-7576095-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-08-18 US disclosed
US-20080312269-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1937679-A2 PREPARATION AND USE OF TETRAHYDROPYRROLO [3, 2-C] PYRIDIN-4-ONE DERIVATIVES FOR TREATMENT OF OBESITY, PSYCHIATRIC AND NEUROLOGICAL DISORDERS AstraZeneca AB (SE) 2008-07-02 EP disclosed
US-20080009513-A1 Therapeutic agents ASTRAZENECA AB (SE) 2008-01-10 US disclosed
WO-2007039740-A2 PREPARATION AND USE OF TETRAHYDROPYRROLO [3, 2-C] PYRIDIN-4-ONE DERIVATIVES FOR TREATMENT OF OBESITY, PSYCHIATRIC AND NEUROLOGICAL DISORDERS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
US-7071207-B2 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-c]pyridine derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-07-04 US disclosed
US-20060122215-A1 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-C]pyridine derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-08 US disclosed
EP-1432708-B1 PREPARATION AND USE OF 1,5,6,7-TETRAHYDROPYRROLO 3,2-C]PYRIDINE DERIVATIVES FOR TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORP (US) 2005-11-30 EP disclosed
US-20040224970-A1 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-c]pyridine derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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 (4 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-20080009513-A1 Therapeutic agents NLN, GPR119, FABP4 MEN1 3167/4885KMT2A 3490/4885ROCK2 3788/4885
US-20040224970-A1 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-c]pyridine derivatives for treatment of obesity GPR119, GIPR, PGC MEN1 3413/4885KMT2A 1681/4885ROCK2 1846/4885
US-20080312269-A1 Therapeutic Agents NLN, GRIN2C, GPR119 MEN1 3251/4885KMT2A 3667/4885ROCK2 3580/4885
US-20060122215-A1 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-C]pyridine derivatives for the treatment of obesity GPR119, GIPR, PGC MEN1 2207/4885KMT2A 1796/4885ROCK2 1978/4885

“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.