SCHEMBL12037630

SCHEMBL12037630

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 2/20 0.54
▸ PAOX Q6QHF9 4/20 0.50
▸ KDM4A O75164 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TET2 Q6N021 1/20 0.47
▸ DOHH Q9BU89 1/20 0.47
▸ GNAI3 P08754 1/20 0.46
▸ GNAO1 P09471 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ NMT2 O60551 1/20 0.44
▸ NMT1 P30419 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASP2 P42575 1/20 0.41
▸ FAAH O00519 2/20 0.41
▸ NAAA Q02083 1/20 0.39

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
SCHEMBL12391838 0.86 CASP2 (0.42) SLC6A5CASP2FAAHNAAA
SCHEMBL21563328 0.86 CASP2 (0.59) SLC6A5CASP2FAAHNAAA
SCHEMBL29300380 0.86 SLC6A5 (0.57) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL25962258 0.85 GNAI3 (0.56) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL17740189 0.84 SLC6A5 (0.55) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL12391833 0.83 ALB (0.40) SLC6A5LMNACASP2FAAHNAAA
SCHEMBL17718467 0.82 SLC6A5 (0.54) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL12863577 0.82 SLC6A5 (0.67) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL7215946 0.82 SLC6A5 (0.67) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL7203302 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357375-B2 Process for the preparation and use of a bivalent vaccine against morphine-heroine addiction INSTITUTO NACIONAL DE PSIQUIATRIA RAMON DE LA FUENTE MUNIZ (MX) 2013-01-22 — — US disclosed
US-20110318381-A1 PROCESS FOR THE PREPARATION AND USE OF A BIVALENT VACCINE AGAINST MORPHINE-HEROINE ADDICTION INSTITUTO NACIONAL DE PSIQUIATRIA RAMON DE LA FUENTE MUNIZ (MX) 2011-12-29 — — US disclosed
US-20080241183-A1 Process For The Preparation And Use Of A Bivalent Vaccine Against Morphine-Heroine Addiction INSTITUTO MACIONAL DE PSIQUIATRIA RAMON DE LA FUENTE MUNIZ (MX) 2008-10-02 — — 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 (2 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-20080241183-A1 Process For The Preparation And Use Of A Bivalent Vaccine Against Morphine-Heroine Addiction OPRM1, OPRK1, OPRD1 SLC6A5 2142/4885PAOX 2705/4885KDM4A 612/4885
US-20110318381-A1 PROCESS FOR THE PREPARATION AND USE OF A BIVALENT VACCINE AGAINST MORPHINE-HEROINE ADDICTION OPRM1, OPRK1, OPRD1 SLC6A5 2142/4885PAOX 2705/4885KDM4A 612/4885

“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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