SCHEMBL3535357

SCHEMBL3535357

NC(=O)c1cc([C]=O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MYC P01106 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM5C P41229 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
KDM6B O15054 1/20 0.37
TET3 O43151 1/20 0.37
KDM4A O75164 1/20 0.37
BBOX1 O75936 1/20 0.37
MAPT P10636 1/20 0.37
KDM5A P29375 1/20 0.37
ASPH Q12797 1/20 0.37
KDM4D Q6B0I6 1/20 0.37

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
SCHEMBL7718659 0.83 MYC (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL31398856 0.83 PARP1 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL8922577 0.82 KDM4E (0.57) TSHRKDM4EALDH1A1KDM5CKDM5B
SCHEMBL7814231 0.80 P2RX7 (0.46) ADORA3KDM4EALDH1A1KDM5CKDM5B
Hydrochloric Acid SCHEMBL9792812 0.75 MKNK1 (0.52) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL3054623 0.75 KMT2A (0.51) KDM4EALDH1A1MAPTGSK3BLMNA
SCHEMBL2783341 0.75 KMT2A (0.43) ADORA3TSHRKDM4EALDH1A1KDM5C
SCHEMBL2644294 0.74 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL608325 0.74 KDM5C (0.55) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL159513 0.74 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016047-B1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-08-28 EP claimed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US claimed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US claimed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US claimed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US claimed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP claimed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US claimed
EP-2016047-B1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-08-28 EP disclosed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-06-18 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 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 (5 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 ADORA3 443/4885TSHR 183/4885MC4R 190/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 ADORA3 428/4885TSHR 203/4885MC4R 319/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 ADORA3 485/4885TSHR 185/4885MC4R 170/4885
US-20090156571-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 ADORA3 4300/4885TSHR 3508/4885MC4R 2131/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 ADORA3 486/4885TSHR 170/4885MC4R 179/4885

“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.