SCHEMBL19732841

SCHEMBL19732841

NCCOc1cccc(C(N)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
PRSS1 P07477 9/20 0.56
PARP10 Q53GL7 2/20 0.56
TNKS O95271 1/20 0.56
PARP15 Q460N3 1/20 0.56
PARP14 Q460N5 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
PARP2 Q9UGN5 1/20 0.56
KMT2A Q03164 1/20 0.53
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PRSS2 P07478 1/20 0.51
C1S P09871 1/20 0.51
PRSS3 P35030 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
F10 P00742 2/20 0.49

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
SCHEMBL9448432 0.92 PRSS1 (0.58) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL14791423 0.89 PRSS1 (0.62) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL13445952 0.88 PARP1 (0.57) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL1572959 0.86 KMT2A (0.71) PRSS1KMT2ATAAR1
SCHEMBL30938280 0.86 PARP1 (0.59) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL4326927 0.86 PARP1 (0.59) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL28029093 0.86 PARP1 (0.62) PARP1PRSS1PARP10TNKSPARP15
Hydrochloric Acid SCHEMBL25378558 0.85 KMT2A (0.69) PRSS1KMT2ATAAR1
SCHEMBL3072792 0.85 PRSS1 (0.58) PARP1PRSS1PARP10TNKSPARP15
SCHEMBL201524 0.85 KMT2A (0.73) PARP1PRSS1PARP10TNKSPARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563073-B For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds 诺罗利西斯公司 2021-12-07 CN disclosed
EP-3475268-B9 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2021-04-21 EP disclosed
EP-3475268-B1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2020-08-19 EP disclosed
US-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors NEUROLIXIS (FR) 2020-02-18 US disclosed
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2019-06-27 US disclosed
EP-3475268-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS Neurolixis (FR) 2019-05-01 EP disclosed
CN-109563073-A For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds 诺罗利西斯公司 2019-04-02 CN disclosed
WO-2017220799-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2017-12-28 WO disclosed
EP-3260452-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS Neurolixis (FR) 2017-12-27 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 (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-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors HTR5A, HTR1A, HTR1E PARP1 427/4885PRSS1 2165/4885PARP10 122/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E PARP1 427/4885PRSS1 2165/4885PARP10 122/4885

“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.