SCHEMBL2545665

SCHEMBL2545665

OCc1cccnc1N1CCN(C[C@H]2COc3ccc(F)cc3O2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.60
ADRA2B P18089 5/20 0.60
ADRA2C P18825 5/20 0.60
DRD2 P14416 2/20 0.48
GBA1 P04062 1/20 0.45
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR1A P08908 2/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL29791109 1.00 ADRA2A (0.60) ADRA2AADRA2BADRA2CDRD2GBA1
SCHEMBL2545666 1.00 ADRA2A (0.60) ADRA2AADRA2BADRA2CDRD2GBA1
Hydrochloric Acid SCHEMBL2545070 0.99 ADRA2A (0.59) ADRA2AADRA2BADRA2CDRD2GBA1
SCHEMBL2549133 0.88 ADRA2A (0.76) ADRA2AADRA2BADRA2CDRD2GBA1
SCHEMBL2548228 0.88 ADRA2A (0.76) ADRA2AADRA2BADRA2CDRD2GBA1
SCHEMBL29791112 0.88 ADRA2A (0.76) ADRA2AADRA2BADRA2CDRD2GBA1
SCHEMBL2545673 0.88 ADRA2A (0.79) ADRA2AADRA2BADRA2CDRD2GBA1
SCHEMBL2545670 0.88 ADRA2A (0.79) ADRA2AADRA2BADRA2CDRD2GBA1
Hydrochloric Acid SCHEMBL2544674 0.87 ADRA2A (0.78) ADRA2AADRA2BADRA2CDRD2GBA1
SCHEMBL2462133 0.85 ADRA2C (0.52) ADRA2AADRA2BADRA2CDRD2GBA1

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-20210338662-A1 ALPHA-2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELISCHAFT (DE) 2021-11-04 US claimed
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 US claimed
US-20220218700-A1 COMBINATION OF AN ?2-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-20210338662-A1 ALPHA-2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELISCHAFT (DE) 2021-11-04 US disclosed
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 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 (3 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-20210338662-A1 ALPHA-2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRB2, ADRA2A ADRA2A 3/4885ADRA2B 4/4885ADRA2C 1/4885
US-20220218700-A1 COMBINATION OF AN ?2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRB2, ADRA1D ADRA2A 9/4885ADRA2B 8/4885ADRA2C 1/4885
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ADRA2C, ADRA2A, HTR2C ADRA2A 2/4885ADRA2B 5/4885ADRA2C 1/4885

“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.