SCHEMBL5856089

SCHEMBL5856089

CC1(C)OCC(c2cccc(Br)c2)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.43
HCRTR2 O43614 5/20 0.43
KDM1A O60341 4/20 0.43
RCOR1 Q9UKL0 2/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 1/20 0.41
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL1810741 0.80 KDM1A (0.50) KDM1ARCOR1DRD2DRD1DRD4
SCHEMBL5855768 0.78 TSHR (0.41) HCRTR1HCRTR2KDM1ARCOR1POLB
SCHEMBL8990276 0.77 SIGMAR1 (0.46) HCRTR1HCRTR2KDM1AMAPTMEN1
SCHEMBL1502602 0.75 CHRNB2 (0.31) CHRNB2CHRNA4POLB
SCHEMBL5855626 0.73 TAAR1 (0.40) HCRTR1HCRTR2CHRNA1CHRNGCHRNB1
SCHEMBL957833 0.73 KDM1A (0.55) KDM1ARCOR1DRD2DRD1DRD4
SCHEMBL29427010 0.73 KDM1A (0.55) KDM1ARCOR1DRD2DRD1DRD4
Iodide SCHEMBL5548757 0.71 KDM1A (0.53) KDM1ARCOR1DRD2DRD1DRD4
SCHEMBL23364732 0.71 KDM1A (0.44) KDM1ARCOR1DRD2DRD1DRD4
SCHEMBL29932791 0.71 KDM1A (0.44) KDM1ARCOR1DRD2DRD1DRD4

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
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 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 (4 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB HCRTR1 659/4885HCRTR2 1207/4885KDM1A 737/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE HCRTR1 526/4885HCRTR2 1126/4885KDM1A 634/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC HCRTR1 730/4885HCRTR2 1325/4885KDM1A 749/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC HCRTR1 730/4885HCRTR2 1325/4885KDM1A 749/4885

“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.