SCHEMBL9944897

SCHEMBL9944897

CNc1cc(N(C)Cc2nccn2C)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.43
CNR2 P34972 16/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 8/20 0.37
CD38 P28907 1/20 0.36

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
SCHEMBL9947005 0.90 PTGES (0.52) PTGESCD38
SCHEMBL9946715 0.90 PTGES (0.52) PTGESCD38
SCHEMBL9944942 0.88 NPC1 (0.36) CNR2NPC1RAB9ACNR1
SCHEMBL9944896 0.86 PTGES (0.41) PTGESCNR2NPC1RAB9ACNR1
SCHEMBL9944937 0.83 PTGES (0.43) PTGESCNR2NPC1RAB9ACNR1
SCHEMBL14211290 0.83 CNR2 (0.40) PTGESCNR2NPC1RAB9ACNR1
SCHEMBL9944935 0.81 RAB9A (0.43) PTGESCNR2NPC1RAB9ACNR1
SCHEMBL9944782 0.80 RAB9A (0.42) PTGESCNR2NPC1RAB9ACNR1
SCHEMBL9944778 0.80 CNR2 (0.48) PTGESCNR2CNR1
SCHEMBL9946840 0.79 PTGES (0.43) PTGESCD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES PTGES 3/4885CNR2 142/4885NPC1 1695/4885

“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.