SCHEMBL24183452

SCHEMBL24183452

C[C@@H]1CCCN(C2CCN(c3nc(C(F)(F)F)c(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 0.55
▸ HRH3 Q9Y5N1 4/20 0.37
▸ ADRA1A P35348 8/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ ADORA2A P29274 1/20 0.34

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
SCHEMBL30359073 1.00 ADRA2C (0.55) ADRA2CHRH3ADRA1AACKR3KCNH2
SCHEMBL30359186 0.90 ADRA2C (0.57) ADRA2CHRH3ADRA1AACKR3
SCHEMBL24183660 0.90 ADRA2C (0.57) ADRA2CHRH3ADRA1AACKR3
SCHEMBL29876797 0.89 ADRA2C (0.56) ADRA2CHRH3ADRA1AACKR3
SCHEMBL24183686 0.89 ADRA2C (0.56) ADRA2CHRH3ADRA1AACKR3KCNH2
SCHEMBL24183593 0.89 ADRA2C (0.56) ADRA2CHRH3ADRA1AACKR3KCNH2
SCHEMBL24183596 0.89 ADRA2C (0.56) ADRA2CHRH3ADRA1AACKR3KCNH2
SCHEMBL24183569 0.89 ADRA2C (0.56) ADRA2CHRH3ADRA1AACKR3
SCHEMBL24183620 0.85 ADRA2C (0.57) ADRA2CHRH3ADRA1AACKR3KCNH2
SCHEMBL30379971 0.85 ADRA2C (0.57) ADRA2CHRH3ADRA1AACKR3KCNH2

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-20230115270-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 — — US disclosed
WO-2022008426-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-01-13 — — 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-20230115270-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 ADRA2C, ADRB2, ADRB3 ADRA2C 1/4885HRH3 55/4885ADRA1A 17/4885

“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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