SCHEMBL3263017

SCHEMBL3263017

c1ccc(C(c2ccccc2)N2CC(N3CCCC3)C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
CYP2D6 P10635 5/20 0.47
KCNH2 Q12809 5/20 0.47
OPRM1 P35372 4/20 0.47
KMT2A Q03164 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL3311978 0.98 L3MBTL3 (0.70) L3MBTL3L3MBTL1CYP2D6KCNH2OPRM1
SCHEMBL6840171 0.98 L3MBTL3 (0.70) L3MBTL3L3MBTL1CYP2D6KCNH2OPRM1
SCHEMBL3069120 0.96 L3MBTL3 (0.67) L3MBTL3L3MBTL1CYP2D6KCNH2OPRM1
SCHEMBL5137801 0.89 L3MBTL3 (0.63) L3MBTL3L3MBTL1CYP2D6OPRM1KMT2A
SCHEMBL693969 0.84 KMT2A (0.66) L3MBTL3L3MBTL1CYP2D6KMT2AMEN1
SCHEMBL6948721 0.84 L3MBTL3 (0.53) L3MBTL3L3MBTL1CYP2D6KCNH2OPRM1
SCHEMBL5745494 0.84 CHRM2 (0.66) L3MBTL3L3MBTL1CYP2D6KCNH2OPRM1
SCHEMBL7467378 0.84 L3MBTL3 (0.57) L3MBTL3L3MBTL1CYP2D6KCNH2OPRM1
SCHEMBL4257542 0.84 L3MBTL3 (0.53) L3MBTL3L3MBTL1CYP2D6KCNH2OPRM1
SCHEMBL23682663 0.84 L3MBTL3 (1.00) L3MBTL3L3MBTL1CYP2D6KCNH2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023143249-A1 PROTEIN DEGRADATION COMPOUND TARGETING MALT1 上海齐鲁制药研究中心有限公司 2023-08-03 WO disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
EP-2077841-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-07-15 EP disclosed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP disclosed
EP-1947091-A1 Pyrimidyl nitrile derivatives as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
EP-1918284-A1 Hydrazinopyrimidines as cysteine protease inhibitors GLAXO GROUP (GB) 2008-05-07 EP disclosed
EP-1918284-A1 Hydrazinopyrimidines as cysteine protease inhibitors GLAXO GROUP (GB) 2008-05-07 EP disclosed
US-6964961-B2 Thiophene derivatives useful as anticancer agents PFIZER INC (US) 2005-11-15 US disclosed
EP-1287001-B1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-29 EP disclosed
EP-1287001-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2003-03-05 EP disclosed
US-20020042409-A1 Thiophene derivatives useful as anticancer agents PFIZER PRODUCTS INC. 2002-04-11 US disclosed
WO-2001094353-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2001-12-13 WO 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 (3 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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS SERPINB1, CTRL, PRSS1 L3MBTL3 4843/4885L3MBTL1 4342/4885CYP2D6 383/4885
US-20020042409-A1 Thiophene derivatives useful as anticancer agents TP53, RCC1, CCNA1 L3MBTL3 3222/4885L3MBTL1 1471/4885CYP2D6 1047/4885
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP L3MBTL3 4848/4885L3MBTL1 4419/4885CYP2D6 1043/4885

“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.