SCHEMBL3244435

SCHEMBL3244435

[CH2]c1cncc(C#Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.55
APP P05067 1/20 0.48
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
MAPT P10636 2/20 0.41
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL1476446 0.76 GRM5 (0.55) GRM5APPCHRNB2CHRNA4MAPT
SCHEMBL1476965 0.76 GRM5 (0.55) GRM5APPCHRNB2CHRNA4MAPT
SCHEMBL1477046 0.76 GRM5 (0.55) GRM5APPCHRNB2CHRNA4MAPT
SCHEMBL1477320 0.76 GRM5 (0.55) GRM5APPCHRNB2CHRNA4MAPT
SCHEMBL1477480 0.76 GRM5 (0.55) GRM5APPCHRNB2CHRNA4
SCHEMBL1477711 0.76 GRM5 (0.55) GRM5APPCHRNB2CHRNA4MAPT
SCHEMBL1477360 0.76 GRM5 (0.55) GRM5APPCHRNB2CHRNA4MAPT
SCHEMBL1476406 0.76 GRM5 (0.55) GRM5APPCHRNB2CHRNA4MAPT
SCHEMBL16289453 0.75 GRM5 (0.30) GRM5
Hydrochloric Acid SCHEMBL1477130 0.74 GRM5 (0.53) GRM5APPCHRNB2CHRNA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551844-B1 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR SAU (ES) 2010-07-28 EP disclosed
EP-2138496-A1 Antitumoral analogs of lamellarins Pharma Mar, S.A.U. (ES) 2009-12-30 EP disclosed
US-7396837-B2 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2008-07-08 US disclosed
US-20060173030-A1 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2006-08-03 US disclosed
EP-1551844-A2 ANTITUMORAL ANALOGS OF LAMELLARINS Pharma Mar, S.A.U. (ES) 2005-07-13 EP disclosed
WO-2004014917-A2 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR, S.A.U. (ES) 2004-02-19 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-20060173030-A1 Antitumoral analogs of lamellarins PLIN3, LPAR3, LPAR2 GRM5 4530/4885APP 4360/4885CHRNB2 998/4885

“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.