SCHEMBL14288348

SCHEMBL14288348

CCCN(C)c1ccc2cc(C(C)C)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.42
▸ PDE10A Q9Y233 1/20 0.38
▸ NCF1 P14598 1/20 0.38
▸ CRHR1 P34998 4/20 0.37
▸ HCAR3 P49019 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ EGLN1 Q9GZT9 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
SCHEMBL14288347 0.89 EGLN1 (0.39) PDE10ANCF1CRHR1NPC1SCN4A
SCHEMBL14288335 0.84 NCF1 (0.53) MCHR1PDE10ANCF1NPC1SCN4A
SCHEMBL14288336 0.81 CRHR1 (0.43) MCHR1PDE10ANCF1CRHR1CASR
SCHEMBL1500184 0.78 BACE1 (0.46) MCHR1NCF1HCAR3
SCHEMBL20049185 0.73 PDE10A (0.54) MCHR1PDE10ANPC1SCN4ARAB9A
SCHEMBL18948584 0.72 PDE10A (0.53) PDE10ACRHR1NPC1SCN4ARAB9A
SCHEMBL11974254 0.71 NPSR1 (0.41) CASR
SCHEMBL21195656 0.70 NPC1 (0.43) PDE10ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL10122186 0.70 NPC1 (0.43) PDE10ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL889349 0.70 NPC1 (0.43) PDE10ANPC1SCN4ARAB9ASMN1; SMN2

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-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 — — US disclosed
US-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 — — 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-20080015190-A1 Inhibitors of Histone Deacetylase HDAC5, HDAC1, HDAC4 MCHR1 3537/4885PDE10A 4311/4885NCF1 591/4885

“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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