SCHEMBL4132978

SCHEMBL4132978

CN1CCN(C2(CCc3ccccc3)CCNCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.42
MC4R P32245 2/20 0.41
CYP2D6 P10635 1/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRM1 P35372 2/20 0.37

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
SCHEMBL4124999 0.85 KMT2A (0.44) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL4130873 0.81 CYP2D6 (0.43) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL27839716 0.79 SIGMAR1 (0.46) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
Hydrochloric Acid SCHEMBL27820189 0.78 SIGMAR1 (0.45) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL4280380 0.77 OPRM1 (0.47) SIGMAR1KMT2AALDH1A1MEN1OPRM1
SCHEMBL4119403 0.77 CARM1 (0.41) SIGMAR1KMT2AGAARAD52MC4R
SCHEMBL4374266 0.75 OPRM1 (0.51) SIGMAR1MC4ROPRM1
SCHEMBL14279693 0.74 KMT2A (0.47) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL4118117 0.72 OPRM1 (0.45) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL14279644 0.72 GAA (0.55) SIGMAR1KMT2AGAARAD52MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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 (1 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SIGMAR1 1349/4885KMT2A 1309/4885ALDH1A1 863/4885

“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.