SCHEMBL13061597

SCHEMBL13061597

CCN1CCN(CCN2CCCCC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HSD11B1 P28845 1/20 0.41
KDM1A O60341 1/20 0.40
CYP1A2 P05177 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL13062547 0.97 HRH3 (0.48) HRH3CYP2D6KMT2ACARM1PRMT6
SCHEMBL10294630 0.97 CYP2D6 (0.46) HRH3CYP2D6KMT2ACARM1PRMT6
SCHEMBL13061598 0.94 CYP2D6 (0.45) HRH3CYP2D6KMT2ACARM1PRMT6
SCHEMBL19679816 0.88 KMT2A (0.48) HRH3CYP2D6KMT2AALDH1A1MAPT
SCHEMBL24793465 0.88 KMT2A (0.52) HRH3CYP2D6KMT2ACARM1PRMT6
SCHEMBL6506975 0.88
SCHEMBL61193 0.88
SCHEMBL2107485 0.88
SCHEMBL327725 0.88 KMT2A (0.52) HRH3CYP2D6KMT2ACARM1PRMT6
SCHEMBL19750123 0.88 KMT2A (0.52) HRH3CYP2D6KMT2ACARM1PRMT6

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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HRH3 1271/4885CYP2D6 307/4885KMT2A 1686/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HRH3 1271/4885CYP2D6 307/4885KMT2A 1686/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK HRH3 1407/4885CYP2D6 1684/4885KMT2A 1305/4885

“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.