SCHEMBL368420

SCHEMBL368420

O=C(O)N1CCC2(CCCO2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.40
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
OPRK1 P41145 5/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL16336205 0.94 VNN1 (0.41) VNN1CYP11B1CYP11B2OPRK1KCNH2
SCHEMBL18341792 0.90 VNN1 (0.37) VNN1MEN1KMT2AALDH1A1MGLL
SCHEMBL31548277 0.89 CNR2 (0.37) VNN1NAMPTCNR2MGLL
SCHEMBL13010322 0.84 SMN1; SMN2 (0.47) VNN1KDM4EMEN1KMT2ACYP3A4
SCHEMBL30900658 0.83 VNN1 (0.38) VNN1NAMPTKCNH2CNR2MGLL
SCHEMBL2428734 0.82 VNN1 (0.40) VNN1CYP11B1CYP11B2KDM4ENPSR1
SCHEMBL13010536 0.82 VNN1 (0.40) VNN1CYP11B1CYP11B2NAMPTKCNH2
SCHEMBL29975368 0.82 NAMPT (0.41) VNN1OPRK1KDM4EMEN1LMNA
SCHEMBL2484681 0.80 ALDH1A1 (0.35) VNN1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL21273909 0.79 CYP2D6 (0.30) CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455792-B1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS HOFFMANN LA ROCHE (CH) 2007-04-18 EP claimed
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 US claimed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US claimed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US claimed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US claimed
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
WO-2025096858-A1 COMPOUNDS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed
EP-4274569-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER Anima Biotech Inc. (US) 2023-11-15 EP disclosed
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
EP-3464292-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2022-09-21 EP disclosed
WO-2022150316-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2022-07-14 WO disclosed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US disclosed
WO-2004089949-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US disclosed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US disclosed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 WO disclosed
EP-0869955-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-14 EP disclosed
WO-1997024350-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 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-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B VNN1 2890/4885CYP11B1 57/4885CYP11B2 32/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B VNN1 2890/4885CYP11B1 57/4885CYP11B2 32/4885
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 VNN1 3028/4885CYP11B1 125/4885CYP11B2 112/4885

“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.