SCHEMBL21040262

SCHEMBL21040262

COCOc1ccc2c(c1)CCNC2=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 9/20 0.55
PARP10 Q53GL7 9/20 0.55
GRM5 P41594 5/20 0.50
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
PARP1 P09874 2/20 0.45
PDPK1 O15530 1/20 0.45
KCNA5 P22460 1/20 0.44

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
SCHEMBL30527041 1.00 PARP11 (0.55) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL379341 0.83 GRM5 (0.67) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL8323443 0.83 GRM5 (0.67) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL19574541 0.83 PARP11 (0.55) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL8542496 0.82 PARP11 (0.51) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL1036450 0.80 KCNA5 (0.53) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL9740545 0.79 MAOB (0.57)
SCHEMBL25597402 0.79 PARP11 (0.50) PARP11PARP10GRM5GABRG2GABRB3
Hydrochloric Acid SCHEMBL12502617 0.79 PARP11 (0.50) PARP11PARP10GRM5GABRG2GABRB3
SCHEMBL1239440 0.79 PARP11 (0.50) PARP11PARP10GRM5GABRG2GABRB3

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-109810041-B Halogenated allylamine SSAO/VAP-1 inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-08-15 CN disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-03-11 US disclosed
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-03-11 US disclosed
EP-3715341-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2020-09-30 EP disclosed
EP-3715341-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2020-09-30 EP disclosed
WO-2019101086-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-05-31 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 (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-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof VAPB, VAPA, ADRA1D PARP11 402/4885PARP10 984/4885GRM5 4666/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D PARP11 402/4885PARP10 984/4885GRM5 4666/4885

“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.