Sugi Predict

Sugi Predict / Compounds / SCHEMBL3736006

SCHEMBL3736006

SCHEMBL3736006

CNC(=O)C(NC(CCc1cnc(C)cn1)c1ccc(F)c(C)c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 1/20 0.36
▸ GPR39 O43194 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MMP1 P03956 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP14 P50281 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ MAPK1 P28482 1/20 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
SCHEMBL3727877 1.00 GPR88 (0.36) GPR88GPR39S1PR3AKT1CNR2
SCHEMBL3727880 1.00 GPR88 (0.36) GPR88GPR39S1PR3AKT1CNR2
SCHEMBL3739491 0.91 S1PR3 (0.39) GPR88GPR39S1PR3AKT1ALDH1A1
SCHEMBL3736092 0.91 S1PR3 (0.39) GPR88GPR39S1PR3AKT1ALDH1A1
SCHEMBL3736099 0.91 S1PR3 (0.39) GPR88GPR39S1PR3AKT1ALDH1A1
SCHEMBL3732152 0.91 S1PR3 (0.39) GPR88GPR39S1PR3AKT1ALDH1A1
SCHEMBL3734506 0.91 S1PR3 (0.39) GPR88GPR39S1PR3AKT1ALDH1A1
SCHEMBL3736172 0.91 S1PR3 (0.39) GPR88GPR39S1PR3AKT1ALDH1A1
SCHEMBL3732148 0.91 S1PR3 (0.39) GPR88GPR39S1PR3AKT1ALDH1A1
SCHEMBL8173024 0.89 AKT1 (0.31) S1PR3AKT1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 — — EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 — — US disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 — — US disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 — — US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 — — US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 — — US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 — — 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 GPR88 116/4885GPR39 114/4885S1PR3 339/4885

“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.