SCHEMBL16776313

SCHEMBL16776313

CCCn1cc(-c2cccc(NC(=O)N3CCCCNc4ccc(-c5cccc(C)c5)nc43)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.40
▸ CNR1 P21554 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TYRO3 Q06418 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ CYP1A2 P05177 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
SCHEMBL16776353 0.87 NAMPT (0.39) NAMPTTYRO3HCRTR2
SCHEMBL16776146 0.82 HTR2C (0.48) ALDH1A1
SCHEMBL16776144 0.81 KMT2A (0.44) CNR1ALDH1A1RAB9ACREBBPFAAH
SCHEMBL16776024 0.78 IMPDH2 (0.46) CNR1ALDH1A1CREBBP
SCHEMBL16776318 0.77 AURKA (0.38) ALDH1A1RAB9A
SCHEMBL16775915 0.77 NOTUM (0.40) CNR1ALDH1A1RAB9ACREBBP
SCHEMBL16776011 0.75 CA9 (0.38) CNR1ALDH1A1RAB9AFAAH
SCHEMBL16776157 0.75 ROCK2 (0.36) —
SCHEMBL16776311 0.75 MAOA (0.39) ALDH1A1
SCHEMBL16775844 0.74 NTRK1 (0.40) KDRTEKNPC1DDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NAMPT 74/4885CNR1 2946/4885ALDH1A1 1726/4885

“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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