SCHEMBL18145308

SCHEMBL18145308

C[C@@H]1CCCN(C2CCN(C(=O)c3cnc(N4CCC[C@@H]4C(=O)O)nc3)CC2)C1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 0.69

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
SCHEMBL18744229 0.86 ADRA1A (0.66) ADRA1A
SCHEMBL16854317 0.82 ADRA1A (1.00) ADRA1A
SCHEMBL16827278 0.80 ADRA1A (1.00) ADRA1A
SCHEMBL16854293 0.78 ADRA1A (1.00) ADRA1A
SCHEMBL20220518 0.78 ADRA1A (0.80) ADRA1A
SCHEMBL16824536 0.78 ADRA1A (0.80) ADRA1A
Hydrochloric Acid SCHEMBL18186152 0.77 ADRA1A (0.78) ADRA1A
SCHEMBL16827304 0.77 ADRA1A (1.00) ADRA1A
SCHEMBL16854290 0.76 ADRA1A (0.73) ADRA1A
SCHEMBL16827277 0.76 ADRA1A (0.73) 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 2 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-20160304492-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 — — US 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 1176/4885

“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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