SCHEMBL23646937

SCHEMBL23646937

Cc1c2c(nn1CCC(=O)O)CCC1(C2)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ GABRA4 P48169 2/20 0.32
▸ GABRE P78334 2/20 0.32
▸ GABRA6 Q16445 2/20 0.32
▸ GABRG1 Q8N1C3 2/20 0.32

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
SCHEMBL21549872 0.86 MEN1 (0.33) ALDH1A1KDM4ENPSR1GABRPGABRD
SCHEMBL18325699 0.72 ALDH1A1 (0.40) ALDH1A1KDM4ENPSR1GABRPGABRD
SCHEMBL25000580 0.71 GABRP (0.43) MAPK1ALDH1A1KDM4ENPSR1GABRP
SCHEMBL23646968 0.69 HTT (0.39) ALDH1A1L3MBTL1KDM4EKMT2AHTT
SCHEMBL21562972 0.68 GABRP (0.34) ALDH1A1KDM4ENPSR1GABRPGABRD
SCHEMBL23646965 0.65 — —
SCHEMBL18325701 0.65 GABRP (0.35) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL23646975 0.65 HTT (0.56) ALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL18209727 0.65 GABRP (0.41) ALDH1A1KDM4ENPSR1GABRPGABRD
SCHEMBL24029478 0.64 OPRM1 (0.37) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 — — 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 (1 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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, TYMP, HAVCR2 MAPK1 3193/4885ALDH1A1 1457/4885ATM 3660/4885

“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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