SCHEMBL3405602

SCHEMBL3405602

O=C(NCC1(N2CCN(C3CC3)CC2)CCNCC1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 3/20 0.47
HCN4 Q9Y3Q4 3/20 0.47
CHRNA7 P36544 1/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.40
THRB P10828 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TRPV6 Q9H1D0 1/20 0.40
NAMPT P43490 1/20 0.39
SLC6A9 P48067 1/20 0.39
RECQL P46063 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
Hydrochloric Acid SCHEMBL3405749 0.99 HCN1 (0.46) HCN1HCN4CHRNA7POLBMEN1
SCHEMBL4379695 0.86 HCN1 (0.46) HCN1HCN4CHRNA7POLBMEN1
SCHEMBL12342527 0.85 TP53 (0.56) HCN1HCN4CHRNA7POLBMEN1
Hydrochloric Acid SCHEMBL2361490 0.84 TP53 (0.55) HCN1HCN4CHRNA7POLBMEN1
SCHEMBL4379408 0.81 KDM4E (0.47) HCN1HCN4KDM4ENAMPT
SCHEMBL13587111 0.76 TP53 (0.61) HCN1HCN4CHRNA7POLBMEN1
SCHEMBL3408412 0.75 HCN1 (0.40) HCN1HCN4
SCHEMBL4374590 0.74 TP53 (0.58) HCN1HCN4CHRNA7MEN1KMT2A
SCHEMBL4380829 0.72 ADRB2 (0.44) HCN1HCN4MEN1KMT2A
SCHEMBL13587277 0.67 TP53 (0.53) HCN1HCN4MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO 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-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 HCN1 426/4885HCN4 483/4885CHRNA7 1828/4885

“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.