SCHEMBL20955312

SCHEMBL20955312

O=CC1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ POLB P06746 1/20 0.59
▸ TNKS O95271 15/20 0.57
▸ TNKS2 Q9H2K2 15/20 0.57
▸ KMT2A Q03164 1/20 0.54
▸ PARP10 Q53GL7 2/20 0.51
▸ PARP2 Q9UGN5 2/20 0.51
▸ PARP1 P09874 1/20 0.51
▸ PARP4 Q9UKK3 1/20 0.51
▸ PARP3 Q9Y6F1 1/20 0.51
▸ DCTPP1 Q9H773 1/20 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
SCHEMBL12342910 0.81 HPGD (1.00) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15188523 0.80 HPGD (0.66) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL1035103 0.79 HPGD (0.77) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL1081986 0.77 HPGD (0.75) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL1031367 0.77 ALDH1A1 (1.00) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL21989243 0.75 HPGD (0.59) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15173439 0.74 HPGD (0.69) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL22057404 0.73 POLB (0.59) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15173047 0.73 HPGD (0.68) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15173100 0.73 TNKS (0.72) HPGDALDH1A1TSHRPOLBTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 — — US disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 — — US disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 — — CN disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 — — EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 — — US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 — — US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 — — EP disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 — — 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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 HPGD 3082/4885ALDH1A1 115/4885TSHR 2356/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 HPGD 3129/4885ALDH1A1 170/4885TSHR 2028/4885

“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.

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