SCHEMBL3669595

SCHEMBL3669595

COC(=O)C[C@H]1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.40
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
CYP2D6 P10635 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MLNR O43193 1/20 0.35
ABCB11 O95342 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL1584792 1.00 FDPS (0.40) FDPSCHRNB4CHRNA3DRD2DRD3
SCHEMBL642961 1.00 FDPS (0.40) FDPSCHRNB4CHRNA3DRD2DRD3
Hydrochloric Acid SCHEMBL3669594 0.98 FDPS (0.39) FDPSCHRNB4CHRNA3DRD2DRD3
Hydrochloric Acid SCHEMBL617456 0.98 FDPS (0.39) FDPSCHRNB4CHRNA3DRD2DRD3
Hydrochloric Acid SCHEMBL617457 0.98 FDPS (0.39) FDPSCHRNB4CHRNA3DRD2DRD3
SCHEMBL19987369 0.94 FDPS (0.46) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL12481120 0.94 FDPS (0.46) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL645913 0.94 FDPS (0.46) FDPSCYP2D6MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL645912 0.93 FDPS (0.45) FDPSCYP2D6MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7301628 0.93 FDPS (0.45) FDPSCYP2D6MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-03-26 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
EP-4157850-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023018236-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018236-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
US-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-14 US disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
US-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. 2003-05-15 US disclosed
EP-1263726-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2002-12-11 EP disclosed
WO-2001034567-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-17 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 (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-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 FDPS 1053/4885CHRNB4 3876/4885CHRNA3 3500/4885
US-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA3, ADORA2B FDPS 2434/4885CHRNB4 2367/4885CHRNA3 1793/4885
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 FDPS 1053/4885CHRNB4 3876/4885CHRNA3 3500/4885
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 FDPS 3040/4885CHRNB4 3476/4885CHRNA3 3673/4885
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 FDPS 1350/4885CHRNB4 3831/4885CHRNA3 3687/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 FDPS 3440/4885CHRNB4 3979/4885CHRNA3 4216/4885

“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.