SCHEMBL3867321

SCHEMBL3867321

CC1CCC2c3[nH]c4ccccc4c3CCN2C1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.58
▸ ADRA1A P35348 3/20 0.52
▸ ADRA1D P25100 2/20 0.52
▸ ADRA1B P35368 2/20 0.52
▸ POLB P06746 1/20 0.50
▸ CYP2D6 P10635 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ BRD3 Q15059 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PDE5A O76074 2/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42

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
SCHEMBL3868594 0.78 CYP2D6 (0.53) CHRNA7ADRA1AADRA1DADRA1BPOLB
SCHEMBL14364159 0.76 CHRNA7 (0.55) CHRNA7ADRA1AADRA1DADRA1BPOLB
SCHEMBL30229697 0.74 CHRNA7 (0.56) CHRNA7ADRA1AADRA1DADRA1BPOLB
SCHEMBL11355035 0.74 CHRNA7 (0.62) CHRNA7ADRA1AADRA1DADRA1BPOLB
SCHEMBL30363084 0.72 CHRNA7 (0.67) CHRNA7ADRA1AADRA1DADRA1BPOLB
SCHEMBL2887057 0.72 CHRNA7 (0.67) CHRNA7ADRA1AADRA1DADRA1BPOLB
SCHEMBL30363160 0.72 CHRNA7 (0.67) CHRNA7ADRA1AADRA1DADRA1BPOLB
Desbromoarborescidine A SCHEMBL31662855 0.71 CHRNA7 (0.66) CHRNA7ADRA1AADRA1DADRA1BCYP2D6
Desbromoarborescidine A SCHEMBL5269957 0.71 CHRNA7 (0.66) CHRNA7ADRA1AADRA1DADRA1BCYP2D6
Desbromoarborescidine A SCHEMBL29002756 0.71 CHRNA7 (0.66) CHRNA7ADRA1AADRA1DADRA1BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218677-A1 ARYLQUINOZILINE DERIVATIVES AS ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-07-14 — — US claimed
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2007-12-20 — — US claimed
US-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists DIN BELLE DAVID 2006-05-04 — — US claimed
US-20220218695-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-07-14 — — US disclosed
US-20220218677-A1 ARYLQUINOZILINE DERIVATIVES AS ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-07-14 — — US disclosed
US-7592350-B2 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2009-09-22 — — US disclosed
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2007-12-20 — — US disclosed
EP-1490361-B1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORP (FI) 2007-10-03 — — EP disclosed
US-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists DIN BELLE DAVID 2006-05-04 — — 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 (4 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-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 CHRNA7 75/4885ADRA1A 6/4885ADRA1D 5/4885
US-20220218695-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRB2, CHRNA1 CHRNA7 18/4885ADRA1A 12/4885ADRA1D 5/4885
US-20220218677-A1 ARYLQUINOZILINE DERIVATIVES AS ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRB2, ADRA2A CHRNA7 19/4885ADRA1A 9/4885ADRA1D 7/4885
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 CHRNA7 75/4885ADRA1A 6/4885ADRA1D 5/4885

“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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