SCHEMBL3563149

SCHEMBL3563149

CCc1cccc(-c2ccccc2)c1[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
DPP4 P27487 1/20 0.47
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
PTPN5 P54829 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGS2 P35354 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR7 P34969 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HNF4A P41235 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL3563200 0.86 PDCD1 (0.46) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL4630656 0.83 PDCD1 (0.43) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL3561165 0.83 GABRA1 (0.44) PDCD1CD274GABRA1GABRB2CYP2D6
SCHEMBL31261742 0.82 DPP4 (0.60) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL328862 0.82 DPP4 (0.60) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL4630157 0.82 NR1H2 (0.48) PDCD1CD274PTGS2PPARGPPARA
SCHEMBL1241629 0.81 KMT2A (0.47) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL4630263 0.81 NR1H2 (0.50) PPARGPPARABCL2L1
Ethane SCHEMBL3681665 0.80 DPP4 (0.58) PDCD1CD274DPP4KMT2AFOLH1
Water SCHEMBL9719797 0.80 DPP4 (0.58) PDCD1CD274DPP4KMT2AFOLH1

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
EP-1653960-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN INC (US) 2008-11-26 EP claimed
EP-1653960-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN INC. (US) 2006-05-10 EP claimed
US-20050215526-A1 Melanin concentrating hormone receptor antagonist AMGEN, INC. 2005-09-29 US claimed
WO-2005019167-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN, INC. (US) 2005-03-03 WO claimed
US-7659276-B2 Melanin concentrating hormone receptor antagonist AMGEN, INC. (US) 2010-02-09 US disclosed
US-20090143405-A1 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN, INC. (US) 2009-06-04 US disclosed
US-7514438-B2 Melanin concentrating hormone receptor antagonist AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1653960-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN INC (US) 2008-11-26 EP disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
EP-1653960-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN INC. (US) 2006-05-10 EP disclosed
US-20050215526-A1 Melanin concentrating hormone receptor antagonist AMGEN, INC. 2005-09-29 US disclosed
WO-2005019167-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN, INC. (US) 2005-03-03 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 (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-20090143405-A1 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST MCHR1, MC1R, NPY1R PDCD1 4164/4885CD274 3620/4885DPP4 2629/4885
US-20050215526-A1 Melanin concentrating hormone receptor antagonist MCHR1, MC1R, NPY1R PDCD1 4164/4885CD274 3620/4885DPP4 2629/4885

“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.