SCHEMBL16845218

SCHEMBL16845218

CC(C)(O)c1ccc(C(=O)N2CCC(N3CCCC(OC4CC4)C3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 19/20 0.52
▸ L3MBTL1 Q9Y468 17/20 0.52
▸ MBTD1 Q05BQ5 7/20 0.52
▸ TP53BP1 Q12888 2/20 0.52
▸ L3MBTL4 Q8NA19 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL16845100 0.85 ADRA1A (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL18199521 0.85 ADRA1A (0.56) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL18185613 0.85 ADRA1A (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL16845141 0.84 ADRA1A (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL16824019 0.83 ADRA1A (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL16845132 0.83 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL16823980 0.83 ADRA1A (0.50) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL16845214 0.82 L3MBTL3 (0.45) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL18185589 0.82 HPGD (0.57) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL16845173 0.82 L3MBTL3 (0.51) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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-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
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 L3MBTL3 1001/4885L3MBTL1 1286/4885MBTD1 479/4885

“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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