SCHEMBL9944795

SCHEMBL9944795

CNc1c(N)cc(C(=O)N[C@H]2CC[C@H](C)CC2)c(N2CC[C@@H](F)C2)c1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 3/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
CNR1 P21554 5/20 0.36
CNR2 P34972 5/20 0.36
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 4/20 0.36
KCNH2 Q12809 2/20 0.36
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9899095 0.89 PTGES (0.40) DPP4DPP7KCNH2
SCHEMBL9899092 0.89 PTGES (0.40) DPP4DPP7KCNH2
SCHEMBL9944797 0.85 ALDH1A1 (0.39) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL9944946 0.80 RAB9A (0.40) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL9944837 0.80 RAB9A (0.40) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL14211295 0.78 RAB9A (0.39) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL9944791 0.76 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL14211261 0.76 RAB9A (0.41) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL9944739 0.75 RAB9A (0.45) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL9944826 0.75 RAB9A (0.41) TAS1R3TAS1R1TAS1R2RAB9ANPC1

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 TAS1R3 3490/4885TAS1R1 2412/4885TAS1R2 3224/4885

“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.