SCHEMBL28514062

SCHEMBL28514062

O=c1[nH]c2c(-n3cccn3)cccc2n1C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.39
PLD1 Q13393 2/20 0.37
HTR6 P50406 1/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CHRM1 P11229 4/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 1/20 0.35
KCNH2 Q12809 1/20 0.35
CALCRL Q16602 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
HSD11B1 P28845 1/20 0.34
PLD2 O14939 1/20 0.34
PDE9A O76083 1/20 0.34

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
SCHEMBL28511191 0.83 OPRM1 (0.38) OPRM1PLD1HTR6PARP1PARP2
SCHEMBL30825650 0.81 OPRM1 (0.40) OPRM1HTR6PARP1PARP2CHRM1
SCHEMBL28516319 0.80 GPR119 (0.49) OPRM1CHRM1CALCRLCHRM2CHRM4
SCHEMBL30870610 0.76 OPRM1 (0.44) OPRM1PARP1PARP2CHRM1JAK2
SCHEMBL22869395 0.76 ALDH1A1 (0.47) CHRM1MAPK1DRD2CALCRL
SCHEMBL22605719 0.75 HTR6 (0.47) OPRM1PLD1HTR6CHRM1NPC1
SCHEMBL3243652 0.75 OPRM1 (0.62) OPRM1CHRM1DRD2
SCHEMBL4306275 0.75 CHRM1 (0.57) OPRM1PLD1PARP1PARP2CHRM1
SCHEMBL3243793 0.75 HSD11B1 (0.53) OPRM1CHRM1DRD2CHRM2CHRM4
SCHEMBL30870578 0.75 OPRM1 (0.44) OPRM1PARP1PARP2CHRM1JAK2

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 1598/4885PLD1 2848/4885HTR6 3128/4885
US-20240287020-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY XDH, CYP11B2, CYP4X1 OPRM1 1245/4885PLD1 2927/4885HTR6 2765/4885
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP11B2, CYP4X1 OPRM1 1245/4885PLD1 2927/4885HTR6 2765/4885

“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.