SCHEMBL5855768

SCHEMBL5855768

CC1(C)OCC(c2ccc(Br)cc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
BRD4 O60885 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
POLB P06746 1/20 0.37
KDM1A O60341 6/20 0.36
RCOR1 Q9UKL0 3/20 0.36
KCNH2 Q12809 2/20 0.36
MAOB P27338 2/20 0.36
KDM1B Q8NB78 1/20 0.36
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL2716432 0.80 ESR2 (0.52)
SCHEMBL8990276 0.79 SIGMAR1 (0.46) TSHRHCRTR1HCRTR2KDM1AMAOB
SCHEMBL5856089 0.78 HCRTR1 (0.43) HCRTR1HCRTR2POLBKDM1ARCOR1
SCHEMBL1305947 0.77 HCRTR2 (0.42) TSHRHSD17B10HCRTR1HCRTR2TAAR1
SCHEMBL17476831 0.77 HCRTR2 (0.42) TSHRHSD17B10HCRTR1HCRTR2TAAR1
SCHEMBL1305945 0.77 HCRTR2 (0.42) TSHRHSD17B10HCRTR1HCRTR2TAAR1
SCHEMBL12987346 0.76 KDM1A (0.43) BRD4TAAR1KDM1ARCOR1KCNH2
SCHEMBL5858111 0.73 TMEM97 (0.36) HCRTR1HCRTR2TAAR1POLB
SCHEMBL1502602 0.73 CHRNB2 (0.31) POLB
SCHEMBL31339233 0.71 MAPT (0.43) TSHRBRD4HSD17B10POLBKDM1A

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-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (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 TSHR 1666/4885BRD4 2415/4885HSD17B10 35/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE TSHR 2487/4885BRD4 2253/4885HSD17B10 37/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC TSHR 2672/4885BRD4 2369/4885HSD17B10 39/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC TSHR 2672/4885BRD4 2369/4885HSD17B10 39/4885

“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.