SCHEMBL4528223

SCHEMBL4528223

c1nc2ccc3c(c2[nH]1)CCCN3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
BCHE P06276 1/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KDM3A Q9Y4C1 1/20 0.30
UHRF1 Q96T88 1/20 0.30
NUDT1 P36639 1/20 0.30

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
SCHEMBL11985462 0.74 HCAR1 (0.38) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL1747901 0.73 UHRF1 (0.37) UHRF1
SCHEMBL29697758 0.73 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL30538678 0.73 UHRF1 (0.37) UHRF1
SCHEMBL858288 0.73 SRC (0.34)
SCHEMBL4929162 0.73 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL17786631 0.71 KDM4A (0.35) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL2255938 0.70 KDM4E (0.48) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL6015897 0.69 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL1374558 0.69 PRKCI (0.44) KDM4EMAPTCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
EP-1873150-A1 Fluorinated indoleamides useful as ligands of the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2008-01-02 EP disclosed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP disclosed
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor GLAXOSMITHKLINE S.P.A. (IT) 2007-08-23 US disclosed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 WO disclosed
EP-1676843-A1 Substituted indole ligands for the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2006-07-05 EP disclosed
EP-1648881-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GlaxoSmithKline S.p.A. (IT) 2006-04-26 EP disclosed
US-20050228023-A1 Agonist and antagonist ligands of the nociceptin receptor SRI INTERNATIONAL (US) 2005-10-13 US disclosed
WO-2005060947-A2 AGONIST AND ANTAGONIST LIGANDS OF THE NOCICEPTIN RECEPTOR SRI INTERNATIONAL (US) 2005-07-07 WO disclosed
WO-2005005411-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GLAXOSMITHKLINE S.P.A. (IT) 2005-01-20 WO disclosed
WO-2005004896-A1 NOP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PARKINSON’S DISEASE UFPEPTIDES S.R.L. (IT) 2005-01-20 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 (3 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-20050228023-A1 Agonist and antagonist ligands of the nociceptin receptor OPRL1, OPRK1, OPRM1 GRIA1 146/4885GRIA2 135/4885GRIA3 114/4885
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 GRIA1 30/4885GRIA2 162/4885GRIA3 142/4885
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor OGFRL1, OPRL1, ORMDL3 GRIA1 56/4885GRIA2 215/4885GRIA3 198/4885

“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.