SCHEMBL245791

SCHEMBL245791

O=C(Nc1cc(NC2CCCC2)nc2ccccc12)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
ADORA1 P30542 5/20 0.49
ADORA2A P29274 4/20 0.49
ADORA3 P0DMS8 3/20 0.49
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.47
FOXO1 Q12778 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
MAPT P10636 1/20 0.46
CETP P11597 1/20 0.46
HDAC3 O15379 1/20 0.46

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
SCHEMBL196744 0.85 MAPT (0.58) SMN1; SMN2NPC1RAB9AADORA1ADORA2A
SCHEMBL196063 0.84 RXFP1 (0.60) LMNANPC1RAB9AADORA1ADORA2A
SCHEMBL196512 0.82 MAPT (0.55) SMN1; SMN2NPC1RAB9AADORA1ADORA2A
SCHEMBL1847991 0.82 IGF1R (0.56) SMN1; SMN2KDM4ENPC1RAB9AADORA1
SCHEMBL1848472 0.82 NPC1 (0.54) SMN1; SMN2KDM4ENPC1RAB9AADORA1
SCHEMBL196199 0.82 NPC1 (0.52) SMN1; SMN2KDM4ENPC1RAB9AADORA1
SCHEMBL1973638 0.81 NPC1 (0.56) SMN1; SMN2KDM4ENPC1RAB9AADORA1
SCHEMBL13646344 0.81 HTT (0.60) SMN1; SMN2KDM4ELMNANPC1RAB9A
SCHEMBL934924 0.80 IGF1R (0.52) NPC1RAB9AADORA1ADORA2AADORA3
SCHEMBL935627 0.80 RXFP1 (0.51) NPC1RAB9AGAARXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323661-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIV LEIDEN (NL) 2013-04-17 EP claimed
JP-2012500255-A 2012-01-05 JP claimed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US claimed
EP-2323661-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Universiteit Leiden (NL) 2011-05-25 EP claimed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 WO claimed
US-9668959-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2017-06-06 US disclosed
EP-2456419-B1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD (IL) 2016-11-23 EP disclosed
US-20160136079-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2016-05-19 US disclosed
US-9199102-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2015-12-01 US disclosed
EP-2323661-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIV LEIDEN (NL) 2013-04-17 EP disclosed
US-20120134945-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2012-05-31 US disclosed
EP-2456419-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION Oradin Pharmaceutical Ltd. (IL) 2012-05-30 EP disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
EP-2323661-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Universiteit Leiden (NL) 2011-05-25 EP disclosed
WO-2011010306-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-01-27 WO disclosed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 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 (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-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS ADORA3, ADORA2A, ADORA1 SMN1; SMN2 4617/4885KDM4E 1034/4885LMNA 3678/4885

“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.