SCHEMBL1326752

SCHEMBL1326752

CCn1nc(C)c(Br)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
APAF1 O14727 1/20 0.46
NPC1 O15118 1/20 0.44
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.39
IKBKB O14920 1/20 0.37
IKBKE Q14164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
POLB P06746 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL14589125 0.85 KDM4E (0.51) KDM4EAPAF1GAAMAPTHTT
SCHEMBL3049322 0.84 KDM4E (0.53) KDM4EAPAF1GAAMAPTHTT
SCHEMBL841946 0.82 KDM4E (0.49) KDM4EAPAF1GAAMAPTALDH1A1
SCHEMBL6820020 0.81 NPC1 (0.44) KDM4EAPAF1NPC1MAPTHTT
SCHEMBL17917631 0.81 ALDH1A1 (0.48) KDM4EAPAF1NPC1GAAMAPT
SCHEMBL1359424 0.79 SMN1; SMN2 (0.49) KDM4EAPAF1NPC1GAAMAPT
SCHEMBL21753597 0.78 KDM4E (0.45) KDM4ENPC1GAAMAPTALDH1A1
SCHEMBL20874552 0.78 GAA (0.51) KDM4EAPAF1NPC1GAAMAPT
SCHEMBL21753564 0.78 NPC1 (0.44) KDM4EAPAF1NPC1GAAMAPT
SCHEMBL26924428 0.78 NPC1 (0.44) KDM4EAPAF1NPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
US-20250099424-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2025-03-27 US disclosed
EP-4516301-A2 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2025-03-05 EP disclosed
EP-4166539-B1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS PFIZER (US) 2024-10-09 EP disclosed
US-20240287093-A1 HIGH ACTIVITY STING PROTEIN AGONIST ADLAI NORTYE BIOPHARMA CO., LTD. (CN) 2024-08-29 US disclosed
CN-114681443-B Nitrile-containing antiviral compounds 辉瑞大药厂 2024-05-10 CN disclosed
EP-3842437-B1 HIGH ACTIVITY STING PROTEIN AGONIST ADLAI NORTYE BIOPHARMA CO LTD (CN) 2024-04-10 EP disclosed
CN-116789648-A Nitrile-containing antiviral compounds 辉瑞大药厂 2023-09-22 CN disclosed
CN-1191063-C Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders GENENTECH INC (US) 2005-03-02 CN disclosed
EP-1478364-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2004-11-24 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
US-20040063765-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-04-01 US disclosed
WO-2003039549-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2003-05-15 WO disclosed
CN-1295471-A Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders GENENTECH INC (US) 2001-05-16 CN disclosed
EP-1063982-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS Genentech, Inc. (US) 2001-01-03 EP disclosed
WO-1999049856-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH, INC. (US) 1999-10-07 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-20240287093-A1 HIGH ACTIVITY STING PROTEIN AGONIST STING1, IRF3, MAVS KDM4E 3778/4885APAF1 288/4885NPC1 541/4885
US-20250099424-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 KDM4E 1904/4885APAF1 572/4885NPC1 876/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R KDM4E 940/4885APAF1 4586/4885NPC1 112/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 KDM4E 3783/4885APAF1 3685/4885NPC1 143/4885

“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.