SCHEMBL9944939

SCHEMBL9944939

CNc1cc(N(C)Cc2nnc[nH]2)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
LMNA P02545 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CNR2 P34972 10/20 0.33
TP53 P04637 1/20 0.33
CNR1 P21554 7/20 0.32

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
SCHEMBL9947007 0.90 PTGES (0.41)
SCHEMBL9946869 0.90 PTGES (0.41)
SCHEMBL9944938 0.86 ALDH1A1 (0.36) NPC1RAB9ALMNATAS1R3TAS1R1
SCHEMBL9944935 0.80 RAB9A (0.43) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL9944897 0.79 PTGES (0.43) NPC1RAB9ACNR2CNR1
SCHEMBL9944782 0.79 RAB9A (0.42) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL9944778 0.79 CNR2 (0.48) CNR2CNR1
SCHEMBL9944776 0.78 RAB9A (0.41) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL9944934 0.78 RAB9A (0.41) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL9944928 0.78 RAB9A (0.41) NPC1RAB9ATAS1R3TAS1R1TAS1R2

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 NPC1 1695/4885RAB9A 1033/4885LMNA 1817/4885

“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.