SCHEMBL9601544

SCHEMBL9601544

Oc1cc2c(cc1O)CN(Cc1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
TMEM97 Q5BJF2 2/20 0.51
HDAC1 Q13547 2/20 0.49
KCNH2 Q12809 1/20 0.49
DRD4 P21917 2/20 0.49
HTR1A P08908 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
HTR5A P47898 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SRC P12931 1/20 0.49
MC4R P32245 1/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48

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
Bromide SCHEMBL9601854 0.98 SIGMAR1 (0.50) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL27645025 0.88 DRD4 (0.56) SIGMAR1ADRA2AADRA2BTMEM97DRD4
SCHEMBL30073105 0.88 SIGMAR1 (0.60) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL3692387 0.84 ESR1 (0.58) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL10382855 0.81 SLC6A3 (0.52) SIGMAR1HTR1ASLC6A3COMTCARM1
SCHEMBL6672942 0.81 SIGMAR1 (0.62) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
Hydrochloric Acid SCHEMBL16713355 0.79 SIGMAR1 (0.60) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL31514906 0.79 SIGMAR1 (0.54) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL10382817 0.79 SIGMAR1 (0.58) SIGMAR1OPRK1CARM1
SCHEMBL1206388 0.79 SIGMAR1 (0.54) SIGMAR1ADRA2AADRA2BADRA2CTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528922-B1 POLYHETEROCYCLIC COMPOUNDS AS HCV INHIBITORS AB PHARMA LTD (CN) 2017-08-02 EP disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 US disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 US disclosed
WO-2011091757-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-08-04 WO disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 US disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 US disclosed
EP-0227986-B1 ISOINDOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 EP disclosed
US-4987235-A Isoindoline derivatives and processes for their preparation BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958029-A Process for the production of isoindoline derivatives, novel intermediates and process for their production BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 EP disclosed
EP-0227986-A1 Isoindoline derivatives and processes for their preparation BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-08 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 (1 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-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 SIGMAR1 2440/4885ADRA2A 4158/4885ADRA2B 3297/4885

“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.