SCHEMBL2214367

SCHEMBL2214367

CCCCOC(=O)c1cc2c3ccccc3n(C)c2cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.66
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 3/20 0.60
TSHR P16473 2/20 0.60
HPGD P15428 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
GABRP O00591 5/20 0.51
GABRD O14764 5/20 0.51
GABRA1 P14867 5/20 0.51
GABRB1 P18505 5/20 0.51
GABRG2 P18507 5/20 0.51
GABRB3 P28472 5/20 0.51
GABRA5 P31644 5/20 0.51
GABRA3 P34903 5/20 0.51
GABRA2 P47869 5/20 0.51

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
SCHEMBL2216831 0.89 CNR2 (0.80) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2215015 0.88 CNR2 (0.71) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2213176 0.87 CNR2 (0.71) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2214559 0.84 CNR2 (0.66) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4175899 0.83 CNR2 (0.71) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2214952 0.81 HPGD (0.54) CNR2ALDH1A1MAPTKDM4ETSHR
SCHEMBL4175894 0.81 CNR2 (0.55) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL15865703 0.81 KDM4E (0.58) CNR2ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL2212394 0.81 CNR2 (0.94) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL600437 0.80 CNR2 (1.00) CNR2ALDH1A1MAPTSMN1; SMN2KDM4E

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 6 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
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 156/4885ALDH1A1 324/4885MAPT 1483/4885

“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.