Sugi Predict

Sugi Predict / Compounds / SCHEMBL1933206

SCHEMBL1933206

SCHEMBL1933206

O=C(O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ NPC1 O15118 3/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ CYP2C19 P33261 2/20 0.60
▸ HSD11B1 P28845 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ JAK2 O60674 2/20 0.52
▸ JAK1 P23458 2/20 0.52
▸ TYK2 P29597 2/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ GABRA1 P14867 1/20 0.51
▸ GABRG2 P18507 1/20 0.51
▸ GABRB3 P28472 1/20 0.51
▸ GABRA3 P34903 1/20 0.51
▸ GABRA2 P47869 1/20 0.51
▸ GABRB2 P47870 1/20 0.51

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
SCHEMBL3277860 1.00 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ACYP2C19HSD11B1
SCHEMBL204145 1.00 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ACYP2C19HSD11B1
SCHEMBL14630820 0.96 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ACYP2C19HSD11B1
SCHEMBL10565545 0.96 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ACYP2C19HSD11B1
Toluene SCHEMBL27971647 0.94 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19HSD11B1
SCHEMBL12070966 0.92 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2330005 0.92 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL103560 0.92 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1437372 0.90 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19HSD11B1
SCHEMBL13133558 0.90 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3236959-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2025-09-24 — — EP disclosed
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2025-03-06 — — US disclosed
US-12168663-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-12-17 — — US disclosed
EP-4448523-A1 MACROCYCLIC BTK INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 — — EP disclosed
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 — — EP disclosed
CN-118696041-A Macrocyclic BTK inhibitors 克罗斯费尔肿瘤学控股有限公司 2024-09-24 — — CN disclosed
US-11974999-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2024-05-07 — — US disclosed
EP-3746440-B1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME UNIV TEXAS (US) 2023-07-05 — — EP disclosed
WO-2023110970-A1 MACROCYCLIC BTK INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 — — WO disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 — — WO disclosed
US-7005524-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2006-02-28 — — US disclosed
WO-2005030726-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 — — WO disclosed
US-20040235893-A1 Methods for the stereoselective synthesis of substituted piperidines AQUILA BRIAN M (US) 2004-11-25 — — US disclosed
US-6703508-B2 ANALGESICS SEPRACOR, INC. 2004-03-09 — — US disclosed
US-20020177721-A1 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. 2002-11-28 — — US disclosed
WO-2002046157-A2 METHODS FOR THE STEREOSELECTIVE SYNTHESIS OF SUBSTITUTED PIPERIDINES SEPRACOR, INC. (US) 2002-06-13 — — WO disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 — — US disclosed
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 — — US disclosed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 — — US disclosed
EP-0623596-A1 N-acylpyrrolidines or N-acylpiperidines having a guanidinyl- or amidinyl-substituted side chain as thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 — — 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 (5 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-12168663-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 SMN1; SMN2 1868/4885NPC1 4352/4885RAB9A 1269/4885
US-20040235893-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A SMN1; SMN2 1250/4885NPC1 1093/4885RAB9A 2730/4885
US-11974999-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK SMN1; SMN2 3810/4885NPC1 4287/4885RAB9A 2546/4885
US-20020177721-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A SMN1; SMN2 1250/4885NPC1 1093/4885RAB9A 2730/4885
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS BTK, LYN, LCK SMN1; SMN2 4576/4885NPC1 3291/4885RAB9A 2783/4885

“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.