SCHEMBL9944733

SCHEMBL9944733

CNc1cc(NC2CC(F)(F)C2)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
PTGES O14684 1/20 0.36
TYK2 P29597 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34
S100A4 P26447 1/20 0.34
PRNP P04156 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
SCHEMBL9899308 0.88 PTGES (0.46) PTGESTYK2HPGDS100A4
SCHEMBL9899306 0.88 PTGES (0.46) PTGESTYK2HPGDS100A4
SCHEMBL9944735 0.84 ALDH1A1 (0.42) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL11992690 0.81 RAB9A (0.47) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL9944817 0.81 RAB9A (0.40) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL9944829 0.80 ALDH1A1 (0.39) RAB9ANPC1PTGESTYK2KMT2A
SCHEMBL9944833 0.80 KDM1A (0.36) TYK2HPGDS100A4
SCHEMBL9944890 0.78 CNR2 (0.43) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL9944744 0.77 PTGES (0.38) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL9946843 0.77 KDM1A (0.34) TYK2

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 RAB9A 1033/4885NPC1 1695/4885TAS1R3 3490/4885

“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.