SCHEMBL31025943

SCHEMBL31025943

Nc1cnc2ccsc2c1NCC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 19/20 0.65
CYP2D6 P10635 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL25256028 1.00 GRIN2B (0.65) GRIN2BCYP2D6CYP2C9CYP3A4CYP2C19
SCHEMBL31270671 0.87 GRIN2B (0.60) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL25253285 0.87 GRIN2B (0.60) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL29030594 0.86 GRIN2B (0.44) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL25255284 0.84 KDM4E (0.48) GRIN2B
SCHEMBL31270846 0.84 KDM4E (0.48) GRIN2B
SCHEMBL25254475 0.83 GRIN2B (0.55) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL31025948 0.83 GRIN2B (0.55) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5352863 0.79 GRIN2B (1.00) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL25424338 0.76 ADORA2B (0.39) GRIN2B

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
US-20260055119-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2026-02-26 US disclosed
US-20250257071-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2025-08-14 US disclosed
US-20250195683-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEROF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2025-06-19 US disclosed
EP-4516321-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2025-03-05 EP disclosed
US-20250002502-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2025-01-02 US disclosed
EP-4458830-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2024-11-06 EP disclosed
WO-2023207710-A9 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-07-25 WO 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 (4 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-20250195683-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEROF CD47, ABCB1, EGFR GRIN2B 3643/4885CYP2D6 88/4885CYP2C9 266/4885
US-20250257071-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 GRIN2B 4078/4885CYP2D6 13/4885CYP2C9 6/4885
US-20260055119-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B1, CYP11B2, CYP2D6 GRIN2B 2257/4885CYP2D6 3/4885CYP2C9 14/4885
US-20250002502-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 GRIN2B 4078/4885CYP2D6 13/4885CYP2C9 6/4885

“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.