SCHEMBL5719734

SCHEMBL5719734

CCCC[Sn](CCCC)(CCCC)c1ncc(CC)cn1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.32
KDM4E B2RXH2 3/20 0.32
NFKB1 P19838 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4472794 0.83 RARB (0.44) L3MBTL1KDM4ENFKB1MEN1ALDH1A1
SCHEMBL29893529 0.82 KDM4E (0.33) KDM4EALDH1A1MAPT
SCHEMBL17584302 0.80
SCHEMBL23162740 0.77 NQO1 (0.37) L3MBTL1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL14719126 0.77 CASP3 (0.36) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL109668 0.77 CYP2D6 (0.34) L3MBTL1KDM4EALDH1A1LMNACYP1A2
SCHEMBL22498772 0.76 SPHK1 (0.34)
SCHEMBL31612663 0.76 AR (0.32) ALDH1A1MAPK1
SCHEMBL2178833 0.76 L3MBTL1 (0.38) L3MBTL1KDM4ENFKB1MEN1ALDH1A1
SCHEMBL29060387 0.73

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4038064-B1 N-SUBSTUTUTED-6-OXO-1,6-DIHYDROPYRIMIDINE-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2024-02-21 EP disclosed
US-20220409619-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-12-29 US disclosed
EP-4038064-A1 N-SUBSTUTUTED-6-OXO-1,6-DIHYDROPYRIMIDINE-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-10 EP disclosed
WO-2021064570-A1 N-SUBSTUTUTED-6-OXO-1,6-DIHYDROPYRIMIDINE-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-08 WO disclosed
EP-3227303-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-10-24 EP disclosed
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US disclosed
EP-3227301-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
EP-3227303-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
US-20170265474-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 US disclosed
WO-2016087418-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087417-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
EP-1442036-B1 HETEROARYL DERIVATIVES AS SUPERIOR LIGANDS FOR NOCICEPTIN RECEPTOR ORL-1 SCHERING CORP (US) 2006-01-11 EP disclosed
EP-1442036-A2 HETEROARYL DERIVATIVES AS SUPERIOR LIGANDS FOR NOCICEPTIN RECEPTOR ORL-1 SCHERING CORPORATION (US) 2004-08-04 EP disclosed
US-6727254-B2 8-(BIS-(PHENYL) METHYL)-3-HETEROARYL-8-AZABICYCLO-(3.2.1)OCTAN-3-OLS AND DERIVATIVES, USEFUL IN TREATING PAIN, ANXIETY, COUGH, ASTHMA, DEPRESION AND ALCOHOL ABUSE SCHERING CORPORATION 2004-04-27 US disclosed
US-20030119847-A1 Heteroaryl derivatives as superior ligands for nociceptin receptor ORL-1 SCHERING CORPORATION 2003-06-26 US disclosed
WO-2003039469-A2 HETEROARYL DERIVATIVES AS SUPERIOR LIGANDS FOR NOCICEPTIN RECEPTOR ORL-1 SCHERING CORPORATION (US) 2003-05-15 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 (4 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-20170265474-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 L3MBTL1 169/4885KDM4E 1943/4885NFKB1 2765/4885
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 L3MBTL1 169/4885KDM4E 1943/4885NFKB1 2765/4885
US-20220409619-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H L3MBTL1 2208/4885KDM4E 1977/4885NFKB1 466/4885
US-20030119847-A1 Heteroaryl derivatives as superior ligands for nociceptin receptor ORL-1 OPRL1, OPRD1, OPRK1 L3MBTL1 693/4885KDM4E 4829/4885NFKB1 1335/4885

“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.