SCHEMBL19865061

SCHEMBL19865061

CN1CCCN(c2ccc3c(n2)N[C@H]2CCN3C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 6/20 0.41
▸ HRH4 Q9H3N8 6/20 0.41
▸ HTR3E A5X5Y0 4/20 0.41
▸ HTR3B O95264 4/20 0.41
▸ HTR3D Q70Z44 4/20 0.41
▸ HTR3C Q8WXA8 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ PKM P14618 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL19670116 0.83 CASP1 (0.34) HRH4HRH3ALDH1A1PDE10APARP1
SCHEMBL16238283 0.82 HTR3E (0.43) HTR3AHRH4HTR3EHTR3BHTR3D
SCHEMBL17778155 0.79 KMT2A (0.43) KDM4EALDH1A1PDE10A
SCHEMBL16754643 0.79 KMT2A (0.43) KDM4EALDH1A1PDE10A
SCHEMBL16775788 0.79 KMT2A (0.43) KDM4EALDH1A1PDE10A
SCHEMBL16754467 0.79 KMT2A (0.43) KDM4EALDH1A1PDE10A
SCHEMBL16754674 0.79 KMT2A (0.43) KDM4EALDH1A1PDE10A
SCHEMBL17778266 0.79 KMT2A (0.43) KDM4EALDH1A1PDE10A
SCHEMBL17778198 0.79 KMT2A (0.43) KDM4EALDH1A1PDE10A
SCHEMBL16238309 0.78 PDE10A (0.49) PDE10A

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR3A 4196/4885HRH4 2796/4885HTR3E 4562/4885

“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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