Sugi Predict

Sugi Predict / Compounds / SCHEMBL30825650

SCHEMBL30825650

SCHEMBL30825650

O=c1[nH]c2c(-n3cc(Br)cn3)cccc2n1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.40
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ CHRM1 P11229 4/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP3A5 P20815 2/20 0.34
▸ CYP3A7 P24462 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ PDK4 Q16654 2/20 0.34
▸ CYP3A43 Q9HB55 2/20 0.34
▸ CALCRL Q16602 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 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
SCHEMBL29198229 0.81 CCR5 (0.43) OPRM1CHRM1HSD11B1CALCRLCHRM2
SCHEMBL28514062 0.81 OPRM1 (0.39) OPRM1JAK2JAK3CHRM1DRD2
SCHEMBL28511191 0.80 OPRM1 (0.38) OPRM1JAK2JAK3CHRM1DRD2
SCHEMBL29198193 0.79 CHRM1 (0.40) OPRM1JAK2CHRM1HSD11B1CALCRL
SCHEMBL30870368 0.77 ALDH1A1 (0.45) CHRM1DRD2HSD11B1CALCRL
SCHEMBL22869840 0.77 ALDH1A1 (0.45) CHRM1DRD2HSD11B1CALCRL
SCHEMBL30825657 0.77 OPRM1 (0.46) OPRM1JAK2JAK3CHRM1DRD2
SCHEMBL30870578 0.75 OPRM1 (0.44) OPRM1JAK2JAK3CHRM1HSD11B1
SCHEMBL3243793 0.75 HSD11B1 (0.53) OPRM1CHRM1DRD2HSD11B1CHRM2
SCHEMBL28512511 0.73 OPRM1 (0.43) OPRM1JAK2JAK3CHRM1HSD11B1

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 4 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

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 1598/4885JAK2 13/4885JAK3 54/4885
US-20240287020-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY XDH, CYP11B2, CYP4X1 OPRM1 1245/4885JAK2 7/4885JAK3 52/4885
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP11B2, CYP4X1 OPRM1 1245/4885JAK2 7/4885JAK3 52/4885

“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.