SCHEMBL16845211

SCHEMBL16845211

C[C@@H]1CCCN(C2CCN(C(=O)c3ccc(C(=O)NCc4cc(C(F)(F)F)c(Cl)cn4)cc3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 17/20 0.50
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALK Q9UM73 1/20 0.40

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
SCHEMBL16823988 0.86 ADRA1A (0.50) ADRA1AL3MBTL3L3MBTL1ALK
SCHEMBL16845216 0.83 ADRA1A (0.52) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16845095 0.81 EPHX2 (0.49) ADRA1AL3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL18185574 0.79 ADRA1A (0.48) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16845164 0.79 ADRA1A (0.51) ADRA1AL3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL18185579 0.79 ADRA1A (0.47) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16845209 0.78 ADRA1A (0.52) ADRA1AL3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL18185594 0.78 EPHX2 (0.49) ADRA1A
SCHEMBL16845178 0.78 ADRA1A (0.53) ADRA1A
Trifluoroacetic Acid SCHEMBL18185582 0.77 ADRA1A (0.49) ADRA1A

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 4 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
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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