SCHEMBL2214952

SCHEMBL2214952

COC(=O)c1cc2c3ccccc3n(C)c2cn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 3/20 0.54
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54
PDE5A O76074 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
PKM P14618 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
CYP2C19 P33261 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54

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
SCHEMBL2215015 0.85 CNR2 (0.71) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL2216224 0.84 KDM4E (0.59) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL15706009 0.84 KDM4E (0.51) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL2215621 0.83 PTGER4 (0.62) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL2214367 0.81 CNR2 (0.66) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL2215561 0.81 CNR2 (0.76) KDM4ENPSR1CNR2
SCHEMBL15706010 0.81 KDM4E (0.46) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL2214460 0.80 CNR2 (0.55) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL15706011 0.79 CNR2 (0.54) HPGDKDM4EMAPTALDH1A1GABRP
SCHEMBL27962862 0.79 GABRG2 (0.65) HPGDKDM4EMAPTALDH1A1HSD17B10

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 8 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-103880841-A HDAC (histone deacetylase) inhibitor containing beta- carboline-3-acryl hydrazono as well as preparation method and application thereof UNIV NANTONG 2014-06-25 CN disclosed
CN-103304564-A Beta-carboline derivative containing hydroximic acid as well as preparation method and medical application thereof UNIV NANTONG 2013-09-18 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 HPGD 822/4885KDM4E 2869/4885MAPT 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.