SCHEMBL2215825

SCHEMBL2215825

CCC(c1ccccc1)n1c2ccccc2c2cc(C(=O)O)ncc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CNR2 P34972 4/20 0.43
GABRA1 P14867 5/20 0.40
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA5 P31644 5/20 0.40
GABRA3 P34903 5/20 0.40
GABRA2 P47869 5/20 0.40
GABRA6 Q16445 3/20 0.40
GABRA4 P48169 2/20 0.40
KMT2A Q03164 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRE P78334 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL2216005 0.88 CNR2 (0.59) POLBCNR2GABRA1GABRG2GABRB3
SCHEMBL4175894 0.84 CNR2 (0.55) POLBCNR2GABRA1GABRG2GABRB3
SCHEMBL5096226 0.82 NPY5R (0.47) POLBCNR2GABRA1GABRG2GABRB3
SCHEMBL2213028 0.79 POLB (0.42) POLBKMT2AKDM4CALDH1A1HPGD
SCHEMBL2215959 0.78 POLB (0.41) POLBGABRA1GABRG2GABRB3GABRA5
SCHEMBL2212614 0.77 CNR2 (0.56) POLBCNR2KMT2AKDM4EALDH1A1
SCHEMBL2214017 0.77 POLB (0.40) POLBKDM4CKDM4EALDH1A1HPGD
SCHEMBL2216224 0.75 KDM4E (0.59) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL13415776 0.75 ALDH1A1 (0.64) POLBCNR2GABRA1GABRG2GABRB3
SCHEMBL2216672 0.73 CNR2 (0.70) CNR2ALDH1A1HPGD

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 POLB 812/4885CNR2 156/4885GABRA1 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.