SCHEMBL4120887

SCHEMBL4120887

CN1CCN(C2(c3ccc(F)cc3)CCNCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.39
OPRM1 P35372 3/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP2D6 P10635 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL4124756 0.84 SIGMAR1 (0.50) SLC6A9OPRM1KCNH2GRIN1GRIN2A
SCHEMBL4120082 0.82 OPRM1 (0.42) SLC6A9OPRM1CYP2D6SLC6A3USP2
SCHEMBL23293520 0.82 SLC6A9 (0.43) SLC6A9OPRM1KCNH2GRIN1GRIN2A
Hydrochloric Acid SCHEMBL2329545 0.81 OPRM1 (0.41) SLC6A9OPRM1CYP2D6SLC6A3USP2
SCHEMBL30330148 0.79 SLC6A9 (0.47) SLC6A9OPRM1KCNH2GRIN1GRIN2A
SCHEMBL4283594 0.74 SMN1; SMN2 (0.47) SLC6A9OPRM1SMN1; SMN2CYP2D6NPC1
Methylpiperazine SCHEMBL28078163 0.73 SIGMAR1 (0.47) KCNH2SMN1; SMN2CYP2D6NPC1LMNA
Methylpiperazine SCHEMBL28021840 0.72 SIGMAR1 (0.46) KCNH2SMN1; SMN2CYP2D6NPC1LMNA
SCHEMBL19869969 0.71 ALDH1A1 (0.44) OPRM1KCNH2DUSP3PTPN5PTPN11
SCHEMBL14279692 0.71 SLC6A4 (0.50) SLC6A9OPRM1KCNH2GRIN1GRIN2A

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 SLC6A9 600/4885OPRM1 2798/4885KCNH2 1264/4885

“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.