SCHEMBL4472210

SCHEMBL4472210

O=C1CC2(CCNC2)CN1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CRBN Q96SW2 2/20 0.38
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NEK2 P51955 1/20 0.32
TSHR P16473 1/20 0.32
BACE1 P56817 1/20 0.30

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
Hydrochloric Acid SCHEMBL26683264 0.98 OPRM1 (0.39) OPRM1OPRL1SMN1; SMN2CRBNCYP11B1
SCHEMBL340964 0.89 OPRM1 (0.45) OPRM1OPRL1SMN1; SMN2CRBNCYP11B1
SCHEMBL16600593 0.88 CYP3A4 (0.38) OPRM1OPRL1SMN1; SMN2CRBNCYP11B1
SCHEMBL27064690 0.88 CYP3A4 (0.38) OPRM1OPRL1SMN1; SMN2CRBNCYP11B1
SCHEMBL20758523 0.87 CRBN (0.38) OPRM1OPRL1SMN1; SMN2CRBNCYP11B1
Hydrochloric Acid SCHEMBL289271 0.87 OPRM1 (0.44) OPRM1OPRL1SMN1; SMN2CRBNCYP11B1
SCHEMBL20758273 0.84 SMN1; SMN2 (0.35) OPRM1OPRL1SMN1; SMN2CRBN
SCHEMBL20669116 0.83 OPRM1 (0.38) OPRM1OPRL1SMN1; SMN2CRBNCYP11B1
SCHEMBL31580458 0.82 OPRM1 (0.42) OPRM1OPRL1SMN1; SMN2CRBNCYP11B1
SCHEMBL20941858 0.82 OPRM1 (0.41) OPRM1OPRL1SMN1; SMN2CRBNCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591318-B Pyrazolo heterocyclic compound, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2024-06-21 CN claimed
CN-114507227-B Benzisothiazole compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-06-21 CN claimed
CN-113135921-B Dihydropyrimidine-spiro derivative and preparation method and application thereof 山东大学 2022-06-17 CN claimed
CN-114591318-A Pyrazolo heterocyclic compound, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2022-06-07 CN claimed
WO-2022105782-A1 BENZISOTHIAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国医学科学院药物研究所 2022-05-27 WO claimed
CN-114507227-A Benzisothiazole compound, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2022-05-17 CN claimed
CN-114507243-A Isothiazole heterocyclic compound, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-05-17 CN claimed
EP-3765020-A1 SPIROCYCLIC ROR-GAMMA MODULATORS Escalier Biosciences B.V. (US) 2021-01-20 EP claimed
WO-2019177997-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 WO claimed
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2025-10-23 US disclosed
US-20250270195-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2025-08-28 US disclosed
EP-4600247-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2025-08-13 EP disclosed
US-12338233-B2 PD-1/Pd-L1 inhibitors GILEAD SCIENCES, INC. (US) 2025-06-24 US disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 US disclosed
WO-2017214367-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed
WO-2017214367-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed
US-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 US disclosed
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 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 (6 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-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 OPRM1 232/4885OPRL1 92/4885SMN1; SMN2 2295/4885
US-12338233-B2 PD-1/Pd-L1 inhibitors PDCD1, CD274, PDCD1LG2 OPRM1 1694/4885OPRL1 4024/4885SMN1; SMN2 3055/4885
US-20250270195-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 OPRM1 1694/4885OPRL1 4024/4885SMN1; SMN2 3055/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 OPRM1 140/4885OPRL1 434/4885SMN1; SMN2 3418/4885
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 OPRM1 4736/4885OPRL1 4814/4885SMN1; SMN2 1680/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 OPRM1 1615/4885OPRL1 3646/4885SMN1; SMN2 3111/4885

“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.