SCHEMBL16845217

SCHEMBL16845217

COCC1CCCN(C2CCN(C(=O)c3ccc(C(=O)N(C)Cc4c(F)cccc4F)cc3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 4/20 0.56
▸ L3MBTL3 Q96JM7 10/20 0.44
▸ L3MBTL1 Q9Y468 9/20 0.44
▸ BCHE P06276 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MBTD1 Q05BQ5 4/20 0.43
▸ TP53BP1 Q12888 1/20 0.43
▸ L3MBTL4 Q8NA19 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 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
Trifluoroacetic Acid SCHEMBL18185610 0.95 ADRA1A (0.52) ADRA1AL3MBTL3L3MBTL1BCHEKDM4E
SCHEMBL16845189 0.87 ADRA1A (0.72) ADRA1AL3MBTL3L3MBTL1KDM4EMEN1
Trifluoroacetic Acid SCHEMBL18185657 0.82 ADRA1A (0.66) ADRA1AL3MBTL3L3MBTL1KDM4EMEN1
SCHEMBL16845192 0.77 MEN1 (0.54) ADRA1AL3MBTL3L3MBTL1MEN1ALDH1A1
SCHEMBL18185636 0.76 L3MBTL3 (0.51) ADRA1AL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL16845173 0.76 L3MBTL3 (0.51) ADRA1AL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL16823896 0.74 ADRA1A (0.43) ADRA1AL3MBTL3KDM4EMEN1ALDH1A1
SCHEMBL16854407 0.72 ADRA1A (1.00) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16845101 0.71 TDP1 (0.48) L3MBTL3L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL16845096 0.71 ADRA2C (0.57) ADRA1AL3MBTL3L3MBTL1KDM4EMEN1

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 ADRA1A 1241/4885L3MBTL3 1001/4885L3MBTL1 1286/4885

“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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