SCHEMBL2214523

SCHEMBL2214523

CCCc1nc(C(=O)OCC)cc2c1[nH]c1ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.66
GABRD O14764 5/20 0.66
GABRA1 P14867 5/20 0.66
GABRB1 P18505 5/20 0.66
GABRG2 P18507 5/20 0.66
GABRB3 P28472 5/20 0.66
GABRA5 P31644 5/20 0.66
GABRA3 P34903 5/20 0.66
GABRA2 P47869 5/20 0.66
GABRB2 P47870 5/20 0.66
GABRA4 P48169 5/20 0.66
GABRE P78334 5/20 0.66
GABRA6 Q16445 5/20 0.66
GABRG1 Q8N1C3 5/20 0.66
GABRG3 Q99928 5/20 0.66
GABRQ Q9UN88 5/20 0.66
ALDH1A1 P00352 5/20 0.59
MAPT P10636 5/20 0.59
KDM4E B2RXH2 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59

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
SCHEMBL2217085 0.91 GABRP (0.80) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28291469 0.89 GABRP (0.82) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2043144 0.85 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2216825 0.85 MAPT (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2360533 0.85 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10624992 0.84 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28291468 0.83 GABRP (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10857780 0.82 STAT3 (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2361114 0.82 GABRP (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21731007 0.81 KDM4E (0.59) GABRPGABRDGABRA1GABRB1GABRG2

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 9 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
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
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
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 GABRP 2314/4885GABRD 3912/4885GABRA1 1401/4885

“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.