Sugi Predict

Sugi Predict / Compounds / SCHEMBL1779025

SCHEMBL1779025

SCHEMBL1779025

COC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ OPRD1 P41143 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FPR3 P25089 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ PDE8B O95263 1/20 0.40
▸ ATM Q13315 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EPHX1 P07099 1/20 0.40

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
SCHEMBL20410 1.00 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL863388 1.00 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL1046911 0.96 KDM1A (0.44) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL1050048 0.96 KDM1A (0.44) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL79593 0.96 KDM1A (0.44) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL29039374 0.91 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10NPC1ALDH1A1ATM
SCHEMBL11995197 0.91 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10NPC1ALDH1A1ATM
SCHEMBL27426143 0.91 HSD17B10 (0.47) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL24876030 0.87 PDE8B (0.46) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL23951039 0.87 PDE8B (0.46) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 — — US disclosed
EP-4126848-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS Takeda Pharmaceutical Company Limited (JP) 2023-02-08 — — EP disclosed
WO-2021202781-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-07 — — WO disclosed
CN-112442029-A Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine 四川海思科制药有限公司 2021-03-05 — — CN disclosed
WO-2019040106-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 — — WO disclosed
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 — — US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 — — US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 — — US disclosed
US-7361663-B2 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. (US) 2008-04-22 — — US disclosed
EP-1263726-B1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-26 — — EP disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 — — EP disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 — — US disclosed
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-06 — — US disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 — — EP disclosed
US-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. 2003-05-15 — — US disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 — — 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 (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-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 SMN1; SMN2 2944/4885HSD17B10 3221/4885NPC1 2752/4885
US-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT SMN1; SMN2 524/4885HSD17B10 4428/4885NPC1 3712/4885
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 SMN1; SMN2 2944/4885HSD17B10 3221/4885NPC1 2752/4885
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR SMN1; SMN2 3381/4885HSD17B10 4115/4885NPC1 1015/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR SMN1; SMN2 3363/4885HSD17B10 4109/4885NPC1 706/4885

“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.