SCHEMBL2854232

SCHEMBL2854232

Cc1cc(-c2ccccc2)n(C2CCNCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.62
DRD4 P21917 1/20 0.62
DRD3 P35462 1/20 0.62
NSD3 Q9BZ95 1/20 0.56
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNJ6 P48051 3/20 0.40
KCNJ3 P48549 3/20 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
SCHEMBL2850095 0.84 NSD3 (0.54) DRD2DRD4DRD3NSD3CHRNB2
SCHEMBL13135666 0.82 DRD2 (0.70) DRD2DRD4DRD3NSD3NPC1
SCHEMBL2852441 0.76 MEN1 (0.46) NSD3CHRNB2CHRNA4MEN1ALDH1A1
SCHEMBL4288446 0.74 NSD3 (0.44) DRD2DRD4DRD3NSD3CHRNB2
SCHEMBL28782567 0.73 DRD2 (0.51) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL17970770 0.72 DRD2 (0.51) DRD2DRD4DRD3HPGDMEN1
SCHEMBL30443152 0.71 DRD2 (0.42) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL9229636 0.71 CHRNB2 (0.68) DRD2DRD4DRD3NSD3CHRNB2
SCHEMBL8484750 0.71 DRD2 (0.62) DRD2DRD4DRD3NSD3CHRNB2
SCHEMBL8484499 0.71 DRD2 (0.62) DRD2DRD4DRD3NSD3HTR2C

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
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 CN disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 EP 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 DRD2 1418/4885DRD4 519/4885DRD3 1265/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 DRD2 1311/4885DRD4 521/4885DRD3 957/4885

“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.