SCHEMBL21821680

SCHEMBL21821680

O=C1CC(c2c[nH]c3ncccc23)CC(=O)C1=CNCCN1CCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.44
▸ OPRM1 P35372 4/20 0.44
▸ OPRK1 P41145 3/20 0.44
▸ HSD11B1 P28845 9/20 0.39
▸ CCR2 P41597 5/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL29582913 1.00 OPRL1 (0.44) OPRL1OPRM1OPRK1HSD11B1CCR2
SCHEMBL30638788 0.86 JAK2 (0.44) —
SCHEMBL21821643 0.86 JAK2 (0.44) —
SCHEMBL21821758 0.86 DRD2 (0.44) CCR2CYP2D6
SCHEMBL29581764 0.86 DRD2 (0.44) CCR2CYP2D6
SCHEMBL22111676 0.84 MEN1 (0.39) —
SCHEMBL29581966 0.81 HRH3 (0.40) —
SCHEMBL21822005 0.81 HRH3 (0.40) —
SCHEMBL21821928 0.79 KDM4E (0.38) —
SCHEMBL29581782 0.79 KDM4E (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
EP-3632903-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2020-04-08 — — EP 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 (2 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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 OPRL1 3986/4885OPRM1 4351/4885OPRK1 4401/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 OPRL1 3986/4885OPRM1 4351/4885OPRK1 4401/4885

“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.

Send feedback