SCHEMBL1838869

SCHEMBL1838869

NC(=O)CCc1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
TSHR P16473 1/20 0.47
MC4R P32245 1/20 0.47
ADRA1A P35348 1/20 0.47
MC3R P41968 1/20 0.47
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
IDO1 P14902 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
VNN1 O95497 2/20 0.38
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36

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
SCHEMBL2436016 0.91 ADORA3 (0.46) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL27942339 0.84 HDAC3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL1648472 0.82 KDM4E (0.45) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL1532612 0.81 HDAC3 (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL1483374 0.80 ADORA3 (0.50) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL30373798 0.80 ADORA3 (0.50) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL17675610 0.77 PIM2 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL24158585 0.77 MEN1 (0.38) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL21740803 0.77 KDM4E (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL21576120 0.77 LMNA (0.39) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 EP claimed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 WO claimed
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
EP-2318402-A2 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS Sanofi-aventis (FR) 2011-05-11 EP disclosed
WO-2010013078-A2 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2010-02-04 WO disclosed
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 EP disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 WO disclosed
EP-0369743-B1 Heterocyclic amides ZENECA LTD (GB) 1995-04-19 EP disclosed
EP-0369743-A2 Heterocyclic amides ZENECA LIMITED (GB) 1990-05-23 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 (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-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 ADORA3 298/4885TSHR 3065/4885MC4R 699/4885

“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.