SCHEMBL949224

SCHEMBL949224

O=C1c2ccccc2C(=O)N1CCc1cn2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
PDE10A Q9Y233 2/20 0.50
PKM P14618 1/20 0.50
POLB P06746 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
GLS O94925 1/20 0.45
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
SCHEMBL3077836 0.85 KDM4E (0.50) HSD17B10PDE10APKMMAPTMEN1
SCHEMBL16797782 0.82 RAB9A (0.50) HSD17B10PKMPOLBMAPTMEN1
SCHEMBL16797727 0.82 HSD17B10 (0.49) HSD17B10PDE10APKMPOLBMAPT
SCHEMBL17525603 0.81 KDM4E (0.49) HSD17B10PDE10APOLBMAPTALDH1A1
SCHEMBL9796680 0.74 TDP1 (0.51) HSD17B10PDE10APKMMAPTALDH1A1
SCHEMBL3038296 0.74 HSD17B10 (0.46) HSD17B10PDE10APKMPOLBMAPT
SCHEMBL2732396 0.73 PDE10A (0.59) HSD17B10PDE10APOLBMAPTMEN1
SCHEMBL7834962 0.73 PDE10A (0.59) HSD17B10PDE10AMAPTMEN1KMT2A
SCHEMBL9971243 0.73 PDE10A (0.59) HSD17B10PDE10APOLBMAPTMEN1
SCHEMBL7981713 0.73 PDE10A (0.59) HSD17B10PDE10APOLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-1448561-B1 BETA 3 ADRENERGIC AGONISTS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-7265127-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-7253181-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-08-07 US disclosed
US-7241772-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-07-10 US disclosed
US-7205407-B2 3-Substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
US-7071208-B2 β3 Adrenergic agonists ELI LILLY AND COMPANY (US) 2006-07-04 US disclosed
US-20060142328-A1 BETA 3 ADRENERGIC AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2006-06-29 US disclosed
US-20060142327-A1 BETA 3 ADRENERGIC AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2006-06-29 US disclosed
US-20060142329-A1 BETA 3 ADRENERGIC AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2006-06-29 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
EP-1448560-B1 3-SUBSTITUTED OXINDOLE beta 3 AGONISTS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20050020618-A1 Beta 3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2005-01-27 US disclosed
US-20050020617-A1 3-substituted oxindole beta3 agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2005-01-27 US disclosed
EP-1448561-A1 BETA 3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
EP-1448560-A1 3-SUBSTITUTED OXINDOLE $g(b)3 AGONISTS ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
WO-2003044017-A1 BETA 3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 WO disclosed
WO-2003044016-A1 3-SUBSTITUTED OXINDOLE β3 AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 WO 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 (7 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-20060142329-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 HSD17B10 585/4885PDE10A 808/4885PKM 3767/4885
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 HSD17B10 821/4885PDE10A 4561/4885PKM 1959/4885
US-20050020618-A1 Beta 3 adrenergic agonists ADRB3, ADRB1, ADRB2 HSD17B10 585/4885PDE10A 808/4885PKM 3767/4885
US-20050020617-A1 3-substituted oxindole beta3 agonists ADRB3, ADRB2, ADRA2C HSD17B10 601/4885PDE10A 1064/4885PKM 4380/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 HSD17B10 888/4885PDE10A 4411/4885PKM 1871/4885
US-20060142328-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 HSD17B10 585/4885PDE10A 808/4885PKM 3767/4885
US-20060142327-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 HSD17B10 542/4885PDE10A 956/4885PKM 3776/4885

“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.