SCHEMBL2216005

SCHEMBL2216005

CCOC(=O)c1cc2c3ccccc3n(C(CC)c3ccccc3)c2cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.59
GABRA1 P14867 12/20 0.49
GABRA2 P47869 11/20 0.49
GABRG2 P18507 10/20 0.49
GABRB3 P28472 10/20 0.49
GABRA5 P31644 10/20 0.49
GABRA3 P34903 10/20 0.49
GABRB2 P47870 9/20 0.49
GABRA4 P48169 8/20 0.49
GABRA6 Q16445 8/20 0.49
GABRP O00591 7/20 0.49
GABRD O14764 7/20 0.49
GABRB1 P18505 7/20 0.49
GABRE P78334 7/20 0.49
GABRG1 Q8N1C3 7/20 0.49
GABRG3 Q99928 7/20 0.49
GABRQ Q9UN88 7/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL4175894 0.90 CNR2 (0.55) CNR2GABRA1GABRA2GABRG2GABRB3
SCHEMBL2215825 0.88 POLB (0.43) CNR2GABRA1GABRA2GABRG2GABRB3
SCHEMBL5092382 0.85 CNR2 (0.64) CNR2GABRA1GABRA2GABRG2GABRB3
SCHEMBL2216277 0.82 CNR2 (0.43) CNR2GABRA1GABRA2GABRG2GABRB3
SCHEMBL2215015 0.79 CNR2 (0.71) CNR2GABRA1GABRA2GABRG2GABRB3
SCHEMBL2215670 0.79 CNR2 (0.43) CNR2GABRA1GABRA2GABRG2GABRB3
SCHEMBL2214063 0.78 CNR2 (0.77) CNR2GABRA1GABRA2GABRG2GABRB3
SCHEMBL2214750 0.77 CNR2 (0.71) CNR2GABRA1GABRA2GABRG2GABRB3
SCHEMBL16120076 0.77 CNR2 (0.85) CNR2GABRA1GABRA2GABRG2GABRB3
Hydrochloric Acid SCHEMBL27908737 0.76 CNR2 (0.70) CNR2GABRA1GABRA2GABRG2GABRB3

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 5 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-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
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 156/4885GABRA1 1401/4885GABRA2 1608/4885

“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.