SCHEMBL28511191

SCHEMBL28511191

O=c1[nH]c2c(-n3cncn3)cccc2n1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.38
HTR6 P50406 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CHRM1 P11229 3/20 0.35
HSD11B1 P28845 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PDE9A O76083 1/20 0.35
DRD2 P14416 1/20 0.35
KCNH2 Q12809 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
PLD1 Q13393 2/20 0.34
PLD2 O14939 1/20 0.34
CALCRL Q16602 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL28514062 0.83 OPRM1 (0.39) OPRM1HTR6PARP1PARP2CHRM1
SCHEMBL29198301 0.81 GPR119 (0.48) OPRM1PARP1CHRM1HSD11B1CALCRL
SCHEMBL30825650 0.80 OPRM1 (0.40) OPRM1HTR6PARP1PARP2CHRM1
SCHEMBL22869588 0.77 ALDH1A1 (0.47) OPRM1CHRM1HSD11B1DRD2CALCRL
SCHEMBL22605719 0.74 HTR6 (0.47) OPRM1HTR6CHRM1HSD11B1DRD2
SCHEMBL3243652 0.74 OPRM1 (0.62) OPRM1CHRM1DRD2
SCHEMBL28505346 0.74 OPRM1 (0.47) OPRM1PARP1PARP2CHRM1HSD11B1
SCHEMBL4306275 0.74 CHRM1 (0.57) OPRM1PARP1PARP2CHRM1HSD11B1
SCHEMBL3243793 0.74 HSD11B1 (0.53) OPRM1CHRM1HSD11B1DRD2
SCHEMBL30870578 0.74 OPRM1 (0.44) OPRM1PARP1PARP2CHRM1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2025-06-24 US disclosed
US-20240287020-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2024-08-29 US disclosed
US-11970474-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2024-04-30 US disclosed
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN disclosed
CN-112074511-A Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2020-12-11 CN 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-11970474-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP4X1, CYP11B2 OPRM1 1598/4885HTR6 3128/4885PARP1 1799/4885
US-20240287020-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY XDH, CYP11B2, CYP4X1 OPRM1 1245/4885HTR6 2765/4885PARP1 1824/4885
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP11B2, CYP4X1 OPRM1 1245/4885HTR6 2765/4885PARP1 1824/4885

“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.