SCHEMBL2273108

SCHEMBL2273108

OC1(c2ccc(Cl)s2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
SIGMAR1 Q99720 1/20 0.37
SLC6A2 P23975 9/20 0.33
SLC6A4 P31645 9/20 0.33
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GSK3B P49841 1/20 0.32
TSHR P16473 1/20 0.31
F2 P00734 2/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL9734894 0.81 AKR1B1 (0.35) SLC6A2SLC6A4HCAR3HCAR2GSK3B
SCHEMBL5460348 0.78 DRD2 (0.42) DRD2SIGMAR1HCAR3HCAR2OPRM1
SCHEMBL29087304 0.75 DRD2 (0.33) DRD2HCAR3HCAR2OPRM1
SCHEMBL14544430 0.69 DRD2 (0.44) DRD2SIGMAR1SLC6A2SLC6A4GSK3B
SCHEMBL1401191 0.68 OPRM1 (0.50) DRD2SIGMAR1SLC6A2SLC6A4OPRM1
SCHEMBL187716 0.67 DRD2 (1.00) DRD2SLC6A2SLC6A4TSHROPRM1
SCHEMBL1513275 0.67 DRD2 (0.55) DRD2SIGMAR1SLC6A2SLC6A4OPRM1
SCHEMBL654759 0.67 DRD2 (0.65) DRD2SLC6A2SLC6A4
SCHEMBL29892064 0.66 SIGMAR1 (0.51) SIGMAR1SLC6A2TSHR
SCHEMBL5235159 0.66 SIGMAR1 (0.51) SIGMAR1SLC6A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20070185168-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-09 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1736474-A1 PIPERIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-12-27 EP disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 DRD2 3805/4885SIGMAR1 3731/4885SLC6A2 913/4885
US-20070185168-A1 Piperidine derivatives GRIN2C, GRIN1, GRIN3A DRD2 96/4885SIGMAR1 134/4885SLC6A2 1441/4885

“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.