SCHEMBL2560784

SCHEMBL2560784

O=C(O)C#Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
GRM5 P41594 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
KCNH2 Q12809 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
CYP1A2 P05177 2/20 0.43
ERN1 O75460 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL18104914 0.86 FFAR1 (0.47) FFAR1GRM5L3MBTL1LMNANAPRT
SCHEMBL9130654 0.83 HSP90AA1 (0.49) FFAR1GRM5L3MBTL1LMNANAPRT
SCHEMBL30898828 0.83 HSP90AA1 (0.49) FFAR1GRM5L3MBTL1LMNANAPRT
SCHEMBL13382197 0.82 GRM5 (0.49) FFAR1GRM5L3MBTL1KCNH2CYP1A2
SCHEMBL30475553 0.82 FFAR1 (0.45) FFAR1GRM5L3MBTL1KCNH2PTGDR2
Methyl Alcohol SCHEMBL28902013 0.78 GRM5 (0.67) FFAR1GRM5L3MBTL1KCNH2CYP1A2
SCHEMBL30898830 0.78 GRM5 (0.46) FFAR1GRM5KCNH2PTGDR2KMT2A
SCHEMBL13382203 0.78 GRM5 (0.45) FFAR1GRM5
SCHEMBL20089267 0.78 GRM5 (0.45) FFAR1GRM5L3MBTL1KCNH2CYP1A2
SCHEMBL352291 0.78 GRM5 (0.65) GRM5KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111203279-B Sandwich nano material ZIF-8@Au 25 @ ZIF-67 and preparation method and application thereof 安徽大学 2023-04-25 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-111203279-A Sandwich nano-material ZIF-8@ Au25@ ZIF-67 and preparation method and application thereof 安徽大学 2020-05-29 CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US 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 (1 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 FFAR1 665/4885GRM5 568/4885L3MBTL1 621/4885

“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.