SCHEMBL9963597

SCHEMBL9963597

CN1CCC(N(C)C(=O)CNc2nc3c(C(C)(C)C)c4nc(NCC(=O)N5CCCC5)sc4cc3s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
FABP4 P15090 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
NPY5R Q15761 4/20 0.33
PYGL P06737 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
ACKR3 P25106 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL9963519 0.86 PTGS2 (0.49) PTGS2FABP4KMT2AMAPTL3MBTL1
SCHEMBL9963576 0.84 PTGS2 (0.39) PTGS2FABP4ACKR3
SCHEMBL9963551 0.81 PTGS2 (0.39) PTGS2FABP4MAPTLMNACYP3A4
SCHEMBL9963566 0.81 PTGS2 (0.47) PTGS2FABP4MAPTLMNAACKR3
SCHEMBL9963664 0.81 GSK3B (0.34) PTGS2KMT2APOLBNPY5RPYGL
SCHEMBL9963562 0.81 PTGS2 (0.38) PTGS2FABP4MAPTNPY5RLMNA
SCHEMBL9963563 0.80 PTGS2 (0.36) PTGS2FABP4KMT2ANPY5RLMNA
SCHEMBL9963556 0.80 PTGS2 (0.48) PTGS2FABP4KMT2AMAPTL3MBTL1
SCHEMBL9963548 0.78 PTGS2 (0.38) PTGS2MAPTNPY5RLMNAACKR3
SCHEMBL9963571 0.77 ACHE (0.39) PTGS2KMT2APOLBLMNAL3MBTL1

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 2872/4885FABP4 1794/4885KMT2A 3467/4885

“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.