SCHEMBL6208933

SCHEMBL6208933

COc1cccc(C(=O)C2CCNCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
HTR2C P28335 2/20 0.56
HSD11B1 P28845 1/20 0.54
MGLL Q99685 1/20 0.54
PARP1 P09874 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 1/20 0.54
KDM2B Q8NHM5 3/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48

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
Hydrochloric Acid SCHEMBL16432038 0.98 HTR2C (0.57) CES2CES1HTR2CHSD11B1MGLL
SCHEMBL7309424 0.90 CES2 (0.65) CES2CES1HSD11B1MGLLPARP1
SCHEMBL31636008 0.90 CES2 (0.65) CES2CES1HSD11B1MGLLPARP1
Tert-Butyl Formate SCHEMBL27968800 0.88 HTR2C (0.46) CES2CES1HTR2CHSD11B1MGLL
SCHEMBL18360283 0.87 KDM2B (0.62) CES2CES1HSD11B1MGLLPARP1
SCHEMBL4772361 0.84 KDM2B (0.54) CES2CES1HSD11B1MGLLPARP1
SCHEMBL230405 0.84 NPC1 (0.71) HSD11B1MGLLMEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL17913736 0.83 KDM2B (0.53) CES2CES1HSD11B1MGLLPARP1
SCHEMBL18851107 0.83 KMT2A (0.53) MEN1KMT2ACYP2D6RAB9A
Bromide SCHEMBL7247705 0.83 NPC1 (0.69) HSD11B1MGLLMEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9901577-B2 Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH (DE) 2018-02-27 US disclosed
US-9901577-B2 Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH (DE) 2018-02-27 US disclosed
EP-3027598-B1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-04-12 EP disclosed
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
WO-2015014442-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 WO disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
EP-0971926-A1 DIHYDROPYRAZINO 1,2-$i(A)-]INDOLE-1-ONE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-SYNTHELABO (FR) 2000-01-19 EP disclosed
WO-1998042710-A1 DIHYDROPYRAZINO [1,2-A-]INDOLE-1-ONE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-SYNTHELABO (FR) 1998-10-01 WO disclosed
US-4341893-A HYPOTENSIVE AGENTS SYNTHELABO (FR) 1982-07-27 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 (2 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-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES TANK, IRAK3, TNKS CES2 2831/4885CES1 310/4885HTR2C 4050/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 CES2 419/4885CES1 50/4885HTR2C 766/4885

“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.