SCHEMBL6644846

SCHEMBL6644846

Cc1ccc(C(=O)Nc2ccc3c(c2)CCN(Cc2ccc(C#N)cc2)C3)c(N2CCC(C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 1/20 0.48
▸ PLAU P00749 1/20 0.46
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NOD1 Q9Y239 6/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ DRD2 P14416 2/20 0.40
▸ TNF P01375 4/20 0.40
▸ NOD2 Q9HC29 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ GPR6 P46095 1/20 0.39
▸ DRD3 P35462 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
SCHEMBL6644942 0.82 PLAU (0.40) PLAUMEN1KMT2ANPC1RAB9A
SCHEMBL6648871 0.77 SCN10A (0.37) PLAUMEN1KMT2ANOD1SMN1; SMN2
SCHEMBL6646082 0.77 SCN10A (0.46) PLAUSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL6646088 0.76 FAAH (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6649216 0.76 CASP3 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6645902 0.75 ESR2 (0.48) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL6646611 0.75 SCN10A (0.46) NPC1RAB9ASMN1; SMN2LMNASCN10A
SCHEMBL6644233 0.75 MAPT (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6643916 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6647449 0.74 PDE7A (0.47) PLAUSMN1; SMN2LMNAALDH1A1KDM4E

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 — — US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 — — WO 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR PRKAA2 2693/4885PLAU 4416/4885MEN1 3820/4885

“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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