SCHEMBL13646385

SCHEMBL13646385

CC1CCN(CCN2CCCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.56
CARM1 Q86X55 2/20 0.56
PRMT6 Q96LA8 2/20 0.56
PRMT8 Q9NR22 2/20 0.56
PRMT1 Q99873 1/20 0.56
HRH3 Q9Y5N1 4/20 0.53
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SIGMAR1 Q99720 2/20 0.42
CHRM5 P08912 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL4376306 1.00 ACHE (0.56) ACHECARM1PRMT6PRMT8PRMT1
SCHEMBL4383206 0.97 CARM1 (0.58) ACHECARM1PRMT6PRMT8PRMT1
SCHEMBL4373255 0.92 CARM1 (0.58) ACHECARM1PRMT6PRMT8PRMT1
SCHEMBL4378122 0.91 HRH3 (0.54) ACHECARM1PRMT6PRMT8PRMT1
SCHEMBL20234635 0.89 CARM1 (0.65) ACHECARM1PRMT6PRMT8PRMT1
SCHEMBL4375693 0.88 CARM1 (0.54) ACHECARM1PRMT6PRMT8PRMT1
SCHEMBL4374854 0.83 CARM1 (0.54) ACHECARM1PRMT6PRMT8PRMT1
SCHEMBL9192552 0.82 ACHE (0.52) ACHECARM1PRMT6PRMT8PRMT1
SCHEMBL9370937 0.81 HRH3 (0.48) ACHECARM1PRMT6PRMT8PRMT1
SCHEMBL14401649 0.80 CARM1 (0.52) ACHECARM1PRMT6PRMT8PRMT1

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-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 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 (2 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ACHE 838/4885CARM1 3814/4885PRMT6 4713/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 ACHE 534/4885CARM1 2947/4885PRMT6 4549/4885

“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.