SCHEMBL3737879

SCHEMBL3737879

COc1ccc(C(=O)CCc2ccc(C(F)(F)F)nc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPS1 P31327 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ F2RL1 P55085 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ DAO P14920 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ TUBB4A P04350 1/20 0.39

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
SCHEMBL3730897 0.83 MEN1 (0.50) NPC1RAB9ASMN1; SMN2FFAR1MEN1
SCHEMBL3743260 0.81 PPARA (0.48) NPC1RAB9ASMN1; SMN2FFAR1MEN1
SCHEMBL3729921 0.81 DAO (0.40) MRGPRX4DAOCYP3A4
SCHEMBL3732581 0.79 DAO (0.41) RAB9ADAOCYP3A4
SCHEMBL3744520 0.79 ACHE (0.46) DAO
SCHEMBL3736215 0.79 ACHE (0.46) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL3730083 0.78 PPARG (0.47) MEN1KMT2AMRGPRX4LMNAMAPT
SCHEMBL3739676 0.76 ACHE (0.56) NPC1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL2949235 0.75 DAO (0.45) MRGPRX4DAOCYP3A4
SCHEMBL3743226 0.74 PIM1 (0.42) FFAR1MRGPRX4DAO

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 3 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-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 CPS1 2944/4885NPC1 2212/4885RAB9A 1267/4885

“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.

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