SCHEMBL16823768

SCHEMBL16823768

CC(C)(C)c1ccc(C(=O)N2CCC(N3CCCC(C(=O)O)C3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ L3MBTL3 Q96JM7 12/20 0.57
▸ L3MBTL1 Q9Y468 10/20 0.57
▸ MBTD1 Q05BQ5 4/20 0.57
▸ TP53BP1 Q12888 1/20 0.57
▸ L3MBTL4 Q8NA19 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ RAB9A P51151 1/20 0.54

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
SCHEMBL16823941 0.87 MEN1 (0.59) MEN1KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL16823894 0.87 ADRA1A (0.61) MEN1KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL16823958 0.86 MEN1 (0.60) MEN1KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL12412643 0.86 MEN1 (0.62) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL10202499 0.86 L3MBTL3 (0.77) MEN1KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL16823981 0.85 MEN1 (0.60) MEN1KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL16823771 0.84 MEN1 (0.54) MEN1KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL6504711 0.83 MEN1 (0.75) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL16845192 0.82 MEN1 (0.54) MEN1KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL16845195 0.81 L3MBTL3 (0.57) MEN1KMT2AL3MBTL3L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 — — US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 — — US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 — — US disclosed
EP-3083594-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 — — EP disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — WO disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — WO 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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 MEN1 3937/4885KMT2A 4876/4885L3MBTL3 1001/4885

“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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