SCHEMBL14802479

SCHEMBL14802479

CC(C)CCn1c(=O)n(CCC(C)C)c(=O)n(CCC(C)C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
PDE2A O00408 3/20 0.45
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
SORT1 Q99523 2/20 0.42
DAO P14920 1/20 0.42
ADRA2A P08913 1/20 0.42
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22753514 0.91 ALDH1A1 (0.46) ALDH1A1PDE2AADORA2AADORA2BPDE1A
SCHEMBL22625798 0.91 ALDH1A1 (0.46) ALDH1A1PDE2AADORA2AADORA2BPDE1A
SCHEMBL14817841 0.91 ALDH1A1 (0.46) ALDH1A1PDE2AADORA2AADORA2BPDE1A
SCHEMBL16658922 0.80 LMNA (0.39) ALDH1A1PDE2AADORA2AADORA2BPDE1A
SCHEMBL23509686 0.74 RGS4 (0.44) ALDH1A1ADORA2BHTTLMNATSHR
SCHEMBL16658929 0.74 RGS4 (0.44) ALDH1A1PDE2AADORA2AADORA2BPDE1A
SCHEMBL19493548 0.74 CYP3A4 (0.48) ALDH1A1PDE2AADORA2AADORA2BPDE1A
SCHEMBL10964353 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18053449 0.71 CYP3A4 (0.57) ALDH1A1ADORA2AADORA2BHTTSMN1; SMN2
SCHEMBL20561807 0.71 PDE2A (0.32) ALDH1A1PDE2AADORA2AADORA2BPDE1A

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-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 US disclosed
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-05-20 US disclosed
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF Bicyclerd Limited (GB) 2021-03-18 US disclosed
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-02-18 US disclosed
US-10919937-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2021-02-16 US disclosed
US-20200347161-A1 PHOSPHORUS-CONTAINING THERMOPLASTIC POLYMERS CHEMISCHE FABRIK BUDENHEIM KG (DE) 2020-11-05 US disclosed
WO-2020203540-A1 CURABLE EPOXY RESIN COMPOSITION 株式会社ダイセル 2020-10-08 WO disclosed
US-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-17 US disclosed
US-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-10 US disclosed
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2020-04-30 US disclosed
US-10590264-B2 Photopolymerization initiator, polymerizable composition, ink jet recording method, and acylphosphine oxide compound FUJIFILM CORPORATION (JP) 2020-03-17 US disclosed
US-9725556-B2 Sulfur-containing polyureas and methods of use PRC-DESOTO INTERNATIONAL, INC. (US) 2017-08-08 US disclosed
US-20150056397-A1 SULFUR-CONTAINING POLYUREAS AND METHODS OF USE PRC-DESOTO INTERNATIONAL, INC. 2015-02-26 US disclosed
US-20130079485-A1 SULFUR-CONTAINING POLYUREAS AND METHODS OF USE PRC-DESOTO INTERNATIONAL, INC. (US) 2013-03-28 US 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 (10 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-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID ALDH1A1 4861/4885PDE2A 3560/4885ADORA2A 3336/4885
US-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF STING1, BID, VIP ALDH1A1 4871/4885PDE2A 1666/4885ADORA2A 1318/4885
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID ALDH1A1 4861/4885PDE2A 3560/4885ADORA2A 3336/4885
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR ALDH1A1 4676/4885PDE2A 3354/4885ADORA2A 3964/4885
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID ALDH1A1 4861/4885PDE2A 3560/4885ADORA2A 3336/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID ALDH1A1 4861/4885PDE2A 3560/4885ADORA2A 3336/4885
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF VIP, NGLY1, GRPR ALDH1A1 4676/4885PDE2A 3354/4885ADORA2A 3964/4885
US-10590264-B2 Photopolymerization initiator, polymerizable composition, ink jet recording method, and acylphosphine oxide compound CCNT1, CDK1, CCNB1 ALDH1A1 2338/4885PDE2A 4414/4885ADORA2A 3588/4885
US-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF PRRC2A, GRPR, QRFPR ALDH1A1 3405/4885PDE2A 3321/4885ADORA2A 730/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID ALDH1A1 4861/4885PDE2A 3560/4885ADORA2A 3336/4885

“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.