SCHEMBL16854294

SCHEMBL16854294

O=C(c1cnc(N2CCOCC2)nc1)N1CCC(N2CCCC(OCC3CC3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 11/20 1.00
▸ DGAT2 Q96PD7 4/20 0.49
▸ L3MBTL3 Q96JM7 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PIK3CA P42336 2/20 0.43
▸ MTOR P42345 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ ADRA2C P18825 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
SCHEMBL16854405 0.88 ADRA1A (1.00) ADRA1AL3MBTL3L3MBTL1POLB
SCHEMBL16827278 0.81 ADRA1A (1.00) ADRA1ADGAT2L3MBTL3L3MBTL1
SCHEMBL31482152 0.75 ADRA1A (0.60) ADRA1AL3MBTL3L3MBTL1ADRA2C
SCHEMBL16845133 0.75 ADRA1A (0.62) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16845100 0.73 ADRA1A (0.60) ADRA1AL3MBTL3L3MBTL1
SCHEMBL18199524 0.73 ADRA1A (0.59) ADRA1AL3MBTL3L3MBTL1
SCHEMBL28842787 0.73 ADRA1A (0.55) ADRA1AL3MBTL3L3MBTL1ADRA2C
Hydrochloric Acid SCHEMBL18185613 0.72 ADRA1A (0.59) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482196 0.72 ADRA1A (0.57) ADRA1AL3MBTL3L3MBTL1ADRA2C
SCHEMBL18185578 0.72 ADRA1A (0.58) ADRA1AL3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 — — US disclosed
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 — — US disclosed
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 — — US disclosed
US-20160304492-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 — — US disclosed
WO-2015091420-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-20160304492-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNC1, TNNI3, FABP3 ADRA1A 1176/4885DGAT2 4042/4885L3MBTL3 1147/4885

“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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