SCHEMBL17718467

SCHEMBL17718467

CC(C)C(N)CCCCNC(=O)CCCCCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 2/20 0.54
▸ GNAI3 P08754 1/20 0.49
▸ GNAO1 P09471 1/20 0.49
▸ GNAI1 P63096 1/20 0.49
▸ PAOX Q6QHF9 2/20 0.46
▸ NMT2 O60551 1/20 0.44
▸ NMT1 P30419 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TET2 Q6N021 1/20 0.44
▸ DOHH Q9BU89 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CASP2 P42575 1/20 0.41
▸ RRM1 P23921 1/20 0.41
▸ MMP2 P08253 1/20 0.41

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
SCHEMBL29300380 0.86 SLC6A5 (0.57) SLC6A5GNAI3GNAO1GNAI1PAOX
SCHEMBL17740189 0.84 SLC6A5 (0.55) SLC6A5GNAI3GNAO1GNAI1PAOX
SCHEMBL25962258 0.82 GNAI3 (0.56) SLC6A5GNAI3GNAO1GNAI1PAOX
SCHEMBL12037630 0.82 SLC6A5 (0.54) SLC6A5GNAI3GNAO1GNAI1PAOX
SCHEMBL7215984 0.82 SLC6A5 (0.67) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL7203302 0.82 SLC6A5 (0.67) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL7209833 0.82 SLC6A5 (0.67) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL12863577 0.82 SLC6A5 (0.67) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL7208464 0.82 SLC6A5 (0.67) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL17373920 0.82 SLC6A5 (0.67) SLC6A5PAOXKDM4AHIF1ATET2

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-20160122386-A1 V1A RECEPTOR AGONISTS OCELOT BIO, INC. 2016-05-05 — — 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-20160122386-A1 V1A RECEPTOR AGONISTS AVPR2, AVPR1A, AVPR1B SLC6A5 1811/4885GNAI3 882/4885GNAO1 564/4885

“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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