SCHEMBL935627

SCHEMBL935627

Cc1ccc(Nc2cc(NC(=O)C3CCCC3)c3ccccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 5/20 0.51
▸ MAPT P10636 4/20 0.50
▸ TP53 P04637 4/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 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
SCHEMBL1976142 0.99 RXFP1 (0.53) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL196744 0.92 MAPT (0.58) RXFP1MAPTNPC1RAB9AGAA
SCHEMBL196310 0.91 RXFP1 (0.47) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL196063 0.91 RXFP1 (0.60) RXFP1MAPTNPC1RAB9AGAA
SCHEMBL959149 0.91 RXFP1 (0.53) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL196512 0.90 MAPT (0.55) RXFP1MAPTNPC1RAB9AGAA
SCHEMBL934924 0.89 IGF1R (0.52) RXFP1MAPTTP53NPC1RAB9A
SCHEMBL937298 0.88 MAPT (0.64) MAPTTP53RAB9AKMT2ANPSR1
SCHEMBL196681 0.87 RXFP1 (0.53) RXFP1MAPTNPC1RAB9AGAA
SCHEMBL1848663 0.86 CLK1 (0.50) RXFP1MAPTTP53NPC1RAB9A

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 15 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
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 — — US 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 RXFP1 1376/4885MAPT 4299/4885TP53 376/4885

“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.

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