SCHEMBL16845091

SCHEMBL16845091

C[C@@H]1CCCN(C2CCN(C(=O)c3ccc(C(=O)NCc4c(F)cccc4F)cc3)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 14/20 0.62
▸ L3MBTL1 Q9Y468 5/20 0.48
▸ L3MBTL3 Q96JM7 5/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MBTD1 Q05BQ5 1/20 0.46
▸ TP53BP1 Q12888 1/20 0.46
▸ L3MBTL4 Q8NA19 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
Trifluoroacetic Acid SCHEMBL18185575 0.95 ADRA1A (0.57) ADRA1AL3MBTL1L3MBTL3KDM4EMEN1
SCHEMBL16845171 0.86 ADRA1A (0.55) ADRA1AL3MBTL1L3MBTL3KDM4EMEN1
SCHEMBL16845189 0.83 ADRA1A (0.72) ADRA1AL3MBTL1L3MBTL3KDM4EMEN1
SCHEMBL16845178 0.82 ADRA1A (0.53) ADRA1A
SCHEMBL16845167 0.82 ADRA1A (0.54) ADRA1AL3MBTL1L3MBTL3KDM4EMEN1
SCHEMBL16845151 0.82 ADRA1A (0.54) ADRA1AL3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL16845164 0.81 ADRA1A (0.51) ADRA1AL3MBTL1L3MBTL3
SCHEMBL16845095 0.81 EPHX2 (0.49) ADRA1AL3MBTL1L3MBTL3KDM4EMEN1
SCHEMBL16845165 0.81 ADRA1A (0.48) ADRA1AL3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL16823944 0.80 ADRA1A (0.70) ADRA1AL3MBTL1L3MBTL3MBTD1TP53BP1

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 1241/4885L3MBTL1 1286/4885L3MBTL3 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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