SCHEMBL784613

SCHEMBL784613

CNC(=S)N1CCC(N(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
CCR5 P51681 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GRIN2B Q13224 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL785198 0.86 SIGMAR1 (0.58) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL9471282 0.84 SIGMAR1 (0.57) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL1058888 0.81 SIGMAR1 (0.60) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL13739933 0.81 SIGMAR1 (0.56) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL3671431 0.81 SIGMAR1 (0.56) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL13738840 0.81 SIGMAR1 (0.56) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL14336219 0.81 SIGMAR1 (0.58) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL13012605 0.80 SMN1; SMN2 (0.57) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL8271763 0.80 MEN1 (0.48) SIGMAR1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL803663 0.80 JAK2 (0.54) SIGMAR1SMN1; SMN2NPC1RAB9AHTT

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SIGMAR1 369/4885CCR5 460/4885SMN1; SMN2 2971/4885

“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.