SCHEMBL16845178

SCHEMBL16845178

C[C@@H]1CCCN(C2CCN(C(=O)c3ccc(C(=O)NCc4ncc(F)cc4F)cc3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 17/20 0.53
▸ ADRA2C P18825 3/20 0.49

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 SCHEMBL18185582 0.95 ADRA1A (0.49) ADRA1AADRA2C
SCHEMBL16845096 0.88 ADRA2C (0.57) ADRA1AADRA2C
SCHEMBL16845171 0.87 ADRA1A (0.55) ADRA1A
Trifluoroacetic Acid SCHEMBL18185645 0.84 ADRA2C (0.53) ADRA1AADRA2C
SCHEMBL16823988 0.83 ADRA1A (0.50) ADRA1A
SCHEMBL16845091 0.82 ADRA1A (0.62) ADRA1A
SCHEMBL24183570 0.80 ADRA2C (0.74) ADRA1AADRA2C
SCHEMBL29787281 0.80 ADRA2C (0.74) ADRA1AADRA2C
SCHEMBL16845151 0.79 ADRA1A (0.54) ADRA1A
SCHEMBL24183683 0.79 ADRA2C (0.58) ADRA1AADRA2C

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 1241/4885ADRA2C 678/4885

“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.

Send feedback