SCHEMBL9963555

SCHEMBL9963555

Cc1c2nc(NCC(=O)N3CCCC3)sc2cc2sc(NCC(=O)N3CCCN(CCCN4CCCC4)CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
GRIN2B Q13224 3/20 0.39
BCHE P06276 3/20 0.39
LMNA P02545 1/20 0.37
ACHE P22303 3/20 0.37
P2RX7 Q99572 1/20 0.37
ACKR3 P25106 3/20 0.35
FPR3 P25089 1/20 0.35
CACNA1G O43497 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL9963529 0.93 PTGS2 (0.41) PTGS2GRIN2BBCHEACHEACKR3
SCHEMBL9963643 0.88 PTGS2 (0.45) PTGS2BCHEACHEACKR3
SCHEMBL9963588 0.87 ACHE (0.46) PTGS2GRIN2BBCHEACHEP2RX7
SCHEMBL9963617 0.87 PTGS2 (0.47) PTGS2BCHELMNAACHEACKR3
SCHEMBL9963553 0.85 PTGS2 (0.47) PTGS2
SCHEMBL9963695 0.85 PTGS2 (0.49) PTGS2
SCHEMBL9963590 0.84 PTGS2 (0.41) PTGS2ACHEP2RX7ACKR3
SCHEMBL9963593 0.84 PTGS2 (0.46) PTGS2
SCHEMBL9963545 0.84 PTGS2 (0.51) PTGS2
SCHEMBL9963484 0.83 PTGS2 (0.45) PTGS2

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-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PTGS2 2872/4885GRIN2B 4012/4885BCHE 3319/4885

“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.