SCHEMBL740718

SCHEMBL740718

COC(=O)c1cc2ccc(Cl)cc2cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.55
MRGPRX4 Q96LA9 4/20 0.49
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ABL1 P00519 2/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43

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
SCHEMBL6097630 0.94 LCK (0.55) LCKMRGPRX4MAPK1RXFP1ABL1
SCHEMBL21885348 0.84 ALOX15 (0.50) MAPK1GABRPGABRDALDH1A1GABRA1
SCHEMBL12552412 0.83 LCK (0.56) LCKMAPK1GABRPGABRDALDH1A1
SCHEMBL1535240 0.83 LCK (0.60) LCKMAPK1GABRPGABRDALDH1A1
SCHEMBL25982216 0.82 NPC1 (0.41) ABL1MAPT
SCHEMBL1504062 0.81 LCK (0.55) LCKMAPK1ABL1GABRPGABRD
SCHEMBL1202624 0.81 LCK (0.55) LCKMAPK1GABRPGABRDALDH1A1
SCHEMBL31413462 0.81 LCK (0.55) LCKMAPK1ABL1GABRPGABRD
SCHEMBL27144994 0.81 LCK (0.55) LCKMAPK1ABL1GABRPGABRD
SCHEMBL29024728 0.81 P2RX1 (0.56) LCK

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278821-B Spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-10-03 CN disclosed
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3704114-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-8962627-B2 Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors PRESTWICK CHEMICAL, INC. (FR) 2015-02-24 US disclosed
EP-2493871-B1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2014-09-03 EP disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (7 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-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 LCK 1045/4885MRGPRX4 816/4885MAPK1 870/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 LCK 2701/4885MRGPRX4 2257/4885MAPK1 1349/4885
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 LCK 1045/4885MRGPRX4 816/4885MAPK1 870/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R LCK 3678/4885MRGPRX4 2417/4885MAPK1 1864/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R LCK 3678/4885MRGPRX4 2417/4885MAPK1 1864/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R LCK 3678/4885MRGPRX4 2417/4885MAPK1 1864/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 LCK 2625/4885MRGPRX4 2743/4885MAPK1 987/4885

“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.