SCHEMBL10162384

SCHEMBL10162384

CC(C)N1CCC2CCCCN2CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
L3MBTL3 Q96JM7 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MBTD1 Q05BQ5 1/20 0.42
CHRM2 P08172 6/20 0.41
CHRM1 P11229 6/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
HTR6 P50406 1/20 0.38

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
SCHEMBL10162381 0.94 HRH3 (0.43) HRH3L3MBTL3L3MBTL1MBTD1CHRM2
SCHEMBL22456382 0.94 HRH3 (0.49) HRH3L3MBTL3L3MBTL1MBTD1CHRM2
SCHEMBL10092689 0.92 HRH3 (0.50) HRH3CHRM2CHRM1TP53TSHR
SCHEMBL3439846 0.92 L3MBTL3 (0.48) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL25050072 0.90 L3MBTL3 (0.44) HRH3L3MBTL3L3MBTL1MBTD1HTR6
SCHEMBL24742908 0.90 HRH3 (0.47) HRH3CHRM2CHRM1TP53TSHR
SCHEMBL8186259 0.90 HRH3 (0.53) HRH3CHRM2CHRM1TP53TSHR
SCHEMBL12858869 0.90 HRH3 (0.53) HRH3CHRM2CHRM1TP53TSHR
SCHEMBL8255448 0.90 L3MBTL3 (0.47) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL278657 0.90 L3MBTL3 (0.47) HRH3L3MBTL3L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741899-B2 (4-chloro-2-fluoro-N-(2-fluorophenyl)-5-[(8aR)-hexahydropyrrolo-[1,2-a]pyrazin-2(1H)-ylcarbonyl]-benzenesulfonamide, and pharmaceutically acceptable salts thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-08-15 US disclosed
US-8404719-B2 Substituted piperidinylcarbonylbenzenesulfonamides as calcium channel blockers ABBVIE INC. (US) 2013-03-26 US disclosed
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
US-8101614-B2 Substituted pyrrolo [1,2-a] pyrazines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-08-05 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-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 HRH3 378/4885L3MBTL3 2063/4885L3MBTL1 1498/4885
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 HRH3 378/4885L3MBTL3 2063/4885L3MBTL1 1498/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 HRH3 378/4885L3MBTL3 2063/4885L3MBTL1 1498/4885

“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.