SCHEMBL2215826

SCHEMBL2215826

O=C(O)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.56
FABP4 P15090 3/20 0.48
FABP5 Q01469 3/20 0.48
KDM4E B2RXH2 3/20 0.46
ASPH Q12797 3/20 0.46
RIOX2 Q8IUF8 3/20 0.46
KDM8 Q8N371 3/20 0.46
EGLN1 Q9GZT9 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL2216672 0.86 CNR2 (0.70) CNR2FABP4FABP5ALDH1A1HPGD
SCHEMBL2215960 0.86 CNR2 (0.79) CNR2KDM4EALDH1A1GABRPGABRD
SCHEMBL600250 0.85 CNR2 (0.76) CNR2ALDH1A1HPGD
SCHEMBL2215683 0.85 CYP19A1 (0.57) CNR2KDM4EALDH1A1GABRPGABRD
SCHEMBL27899823 0.84 CNR2 (0.74) CNR2ALDH1A1HPGD
SCHEMBL13415776 0.84 ALDH1A1 (0.64) CNR2FABP4FABP5KDM4EALDH1A1
SCHEMBL4175899 0.83 CNR2 (0.71) CNR2KDM4EALDH1A1HPGDGABRP
SCHEMBL27921260 0.81 SIGMAR1 (0.46) CNR2FABP4FABP5SIGMAR1ALDH1A1
SCHEMBL2212614 0.81 CNR2 (0.56) CNR2KDM4EALDH1A1HPGDKMT2A
SCHEMBL27979880 0.81 SIGMAR1 (0.45) CNR2FABP4FABP5SIGMAR1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP claimed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US claimed
US-8772311-B2 Harmine derivatives, intermediates used in their preparations, preparation processes and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2014-07-08 US disclosed
CN-101429198-B Banisterine derivant and uses thereof XINJIANG HUASHIDAN MEDICAMENTS RES CO LTD 2013-10-23 CN disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US disclosed
EP-1634881-A1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2006-03-15 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-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 CNR2 156/4885FABP4 4876/4885FABP5 4756/4885

“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.