SCHEMBL3639348

SCHEMBL3639348

NC(=O)C(c1ccccc1)C1CCCCC1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTR1E P28566 2/20 0.59
S1PR3 Q99500 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.59
CHRM3 P20309 4/20 0.57
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 2/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL5051927 1.00 MEN1 (0.59) MEN1KMT2AHTR1ES1PR3LMNA
SCHEMBL14453320 1.00 MEN1 (0.59) MEN1KMT2AHTR1ES1PR3LMNA
SCHEMBL14453324 1.00 MEN1 (0.59) MEN1KMT2AHTR1ES1PR3LMNA
Water SCHEMBL28154809 0.98 MEN1 (0.58) MEN1KMT2AHTR1ES1PR3LMNA
SCHEMBL4866289 0.98 HTR1E (0.61) MEN1KMT2AHTR1ES1PR3LMNA
Hydrochloric Acid SCHEMBL5051899 0.96 HTR1E (0.59) MEN1KMT2AHTR1ES1PR3LMNA
SCHEMBL5049598 0.95 HTR1E (0.57) MEN1KMT2AHTR1ES1PR3LMNA
SCHEMBL4176732 0.91 HTR1E (0.51) MEN1KMT2AHTR1ES1PR3LMNA
SCHEMBL22188704 0.91 HTR1E (0.51) MEN1KMT2AHTR1ES1PR3LMNA
SCHEMBL14721053 0.86 PTGES (0.50) MEN1KMT2AHTR1ES1PR3LMNA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
CN-1681784-A Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2005-10-12 CN disclosed
EP-1493739-A1 Thiophene derivatives of aminoacids, process for the preparation thereof and compositions containing them Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6245817-B1 NEUROPEPTIDE Y BAYER CORPORATION 2001-06-12 US disclosed
US-6060484-A Anti-viral method ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
WO-1997041846-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-11-13 WO disclosed
EP-0806205-A2 Urea, thiourea and guanidine compounds and their use as anti-viral agents ELI LILLY AND COMPANY (US) 1997-11-12 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 (3 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 MEN1 827/4885KMT2A 3868/4885HTR1E 749/4885
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 MEN1 2386/4885KMT2A 3192/4885HTR1E 648/4885
US-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A MEN1 4875/4885KMT2A 2778/4885HTR1E 70/4885

“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.