SCHEMBL5830601

SCHEMBL5830601

O=C1CNCc2[nH]c3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
KDM4E B2RXH2 5/20 0.49
HTR5A P47898 1/20 0.49
NISCH Q9Y2I1 1/20 0.49
NR2E1 Q9Y466 1/20 0.49
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
PARP1 P09874 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GPR3 P46089 2/20 0.41

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
SCHEMBL4287798 0.78 KDM4E (0.50) HTTKDM4EHTR5ANISCHNR2E1
SCHEMBL30451928 0.78 KDM4E (0.50) HTTKDM4EHTR5ANISCHNR2E1
SCHEMBL484701 0.76 MAP3K11 (0.55) HTTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7441456 0.75 KDM4E (0.60) HTTKDM4EHTR5ANISCHNR2E1
SCHEMBL2220752 0.75 DYRK1A (0.58) HTTKDM4EHTR5ANISCHNR2E1
SCHEMBL11468065 0.75 KDM4E (0.60) HTTKDM4EHTR5ANISCHNR2E1
SCHEMBL31027151 0.75 DYRK1A (0.58) HTTKDM4EHTR5ANISCHNR2E1
SCHEMBL8458677 0.74 HSD17B10 (0.44) HTTKDM4EHTR5ANISCHNR2E1
SCHEMBL18986438 0.73 PARP1 (0.44) HTTKDM4EPARP1CDK4CCND1
SCHEMBL30136570 0.73 KDM4E (0.70) HTTKDM4EHTR5ANISCHNR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
EP-0827746-A1 Carbazole analogues as selective B3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-03-11 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 (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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 HTT 4248/4885KDM4E 3200/4885HTR5A 279/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 HTT 4522/4885KDM4E 3969/4885HTR5A 351/4885

“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.