Sugi Predict

Sugi Predict / Compounds / SCHEMBL3547377

SCHEMBL3547377

SCHEMBL3547377

COC(=O)C1C[C@@H](O)CN1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.42
▸ CHRNA4 P43681 2/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ DPP4 P27487 4/20 0.40
▸ DPP8 Q6V1X1 4/20 0.40
▸ DPP9 Q86TI2 4/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.38
▸ KMT2A Q03164 1/20 0.35
▸ CHEK2 O96017 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33

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
SCHEMBL1439294 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL699327 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL729546 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3534892 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3542501 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1303905 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL788022 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL589711 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL833267 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3862327 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250000989-A1 PYRROLO BENZODIAZEPINE DERIVATIVE, AND CONJUGATE, PREPARATION METHOD AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2025-01-02 — — US disclosed
WO-2024193691-A1 CONJUGATE OF ANTI-ROR1 ANTIBODY AND PBD COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恒瑞医药股份有限公司 2024-09-26 — — WO disclosed
US-20230019617-A1 3-(5-oxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione Derivatives and Uses thereof NOVARTIS AG (CH) 2023-01-19 — — US disclosed
EP-2935268-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2017-11-22 — — EP disclosed
EP-2558445-B1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2017-03-22 — — EP disclosed
WO-2014105958-A2 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-03 — — WO disclosed
WO-2014096368-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2014-06-26 — — WO disclosed
EP-1684787-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-16 — — EP disclosed
EP-1753775-B1 PROCESS FOR PREPARING ACYCLIC HCV PROTEASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-12-26 — — EP disclosed
US-8101765-B2 Process for preparing acyclic HCV protease inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-24 — — US disclosed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 — — EP disclosed
WO-2000016626-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 — — WO disclosed
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 — — US disclosed
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 — — EP disclosed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 — — WO disclosed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 — — WO disclosed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 — — WO disclosed
US-5756528-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-05-26 — — US disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 — — EP disclosed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 — — 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 (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-20230019617-A1 3-(5-oxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione Derivatives and Uses thereof HBZ, HBG1, HBG2 CHRNB2 2199/4885CHRNA4 3085/4885CHRNB4 2749/4885
US-20250000989-A1 PYRROLO BENZODIAZEPINE DERIVATIVE, AND CONJUGATE, PREPARATION METHOD AND USE THEREOF GABRA5, GABRA4, GABRA2 CHRNB2 932/4885CHRNA4 455/4885CHRNB4 868/4885

“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.