SCHEMBL8435280

SCHEMBL8435280

CCc1ccc(N2C(C)CCC2C)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.47
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CNR1 P21554 3/20 0.36
▸ MYC P01106 1/20 0.35
▸ LCAT P04180 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8245408 0.82 CNR2 (0.44) CNR2HRH3ALDH1A1CNR1MYC
SCHEMBL25840185 0.75 HRH3 (0.47) HRH3CYP1A2CYP2D6GPR119KDM4E
SCHEMBL20797611 0.75 KCNJ1 (0.46) CNR2KDM4EL3MBTL1ALDH1A1CNR1
SCHEMBL20797345 0.75 KCNJ1 (0.46) CNR2KDM4EL3MBTL1ALDH1A1CNR1
SCHEMBL20810916 0.75 KCNJ1 (0.46) CNR2KDM4EL3MBTL1ALDH1A1CNR1
SCHEMBL20797535 0.75 KCNJ1 (0.46) CNR2KDM4EL3MBTL1ALDH1A1CNR1
SCHEMBL12141112 0.72 KMT2A (0.49) HRH3KDM4EALDH1A1RAB9A
SCHEMBL13662112 0.72 KMT2A (0.49) HRH3KDM4EALDH1A1RAB9A
SCHEMBL21097708 0.72 CKS1B (0.47) HRH3CYP1A2CYP2D6GPR119LCAT
SCHEMBL10331958 0.72 LCAT (0.47) HRH3CYP1A2CYP2D6GPR119ALDH1A1

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-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 — — US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 — — 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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 CNR2 3169/4885HRH3 1065/4885CYP1A2 3396/4885

“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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