SCHEMBL3218005

SCHEMBL3218005

Nc1cccc(CCCN2CCCC2)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.75
SLC6A3 Q01959 2/20 0.67
DRD2 P14416 1/20 0.67
SLC6A4 P31645 1/20 0.67
LTA4H P09960 1/20 0.57
HRH3 Q9Y5N1 3/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HTR1A P08908 1/20 0.49
GRIN2B Q13224 1/20 0.49

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
SCHEMBL3216167 0.98 SIGMAR1 (0.73) SIGMAR1SLC6A3DRD2SLC6A4LTA4H
SCHEMBL21416863 0.94 SIGMAR1 (0.67) SIGMAR1SLC6A3DRD2SLC6A4LTA4H
SCHEMBL528725 0.90 SIGMAR1 (0.69) SIGMAR1SLC6A3DRD2SLC6A4HRH3
SCHEMBL1801297 0.88 SIGMAR1 (0.68) SIGMAR1SLC6A3DRD2SLC6A4HRH3
SCHEMBL10559365 0.88 SIGMAR1 (0.68) SIGMAR1SLC6A3DRD2SLC6A4HRH3
SCHEMBL18917601 0.88 SLC6A3 (0.77) SIGMAR1SLC6A3DRD2SLC6A4LTA4H
SCHEMBL3150811 0.87 SIGMAR1 (0.76) SIGMAR1SLC6A3DRD2SLC6A4MAOA
SCHEMBL13242848 0.86 SIGMAR1 (0.69) SIGMAR1SLC6A3DRD2SLC6A4HRH3
SCHEMBL3211606 0.86 SIGMAR1 (0.69) SIGMAR1SLC6A3DRD2SLC6A4MAOA
SCHEMBL3218623 0.86 SIGMAR1 (0.69) SIGMAR1SLC6A3DRD2SLC6A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019165192-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-08-29 WO disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 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 (2 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 SIGMAR1 3611/4885SLC6A3 4004/4885DRD2 4764/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 SIGMAR1 3314/4885SLC6A3 3075/4885DRD2 4618/4885

“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.