SCHEMBL19851053

SCHEMBL19851053

CCC1CCCN(Cc2nc(C)c(C)[nH]2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 1/20 0.48
▸ BCHE P06276 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PNP P00491 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3C2B O00750 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ CHEK2 O96017 1/20 0.31

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
SCHEMBL17916768 0.83 KAT2B (0.50) KAT2BKDM4EALDH1A1POLBL3MBTL1
SCHEMBL17916769 0.83 KAT2B (0.50) KAT2BKDM4EALDH1A1POLBL3MBTL1
SCHEMBL19844827 0.80 KAT2B (0.50) KAT2BKDM4EALDH1A1POLBL3MBTL1
SCHEMBL19844845 0.80 KAT2B (0.50) KAT2BKDM4EALDH1A1POLBL3MBTL1
SCHEMBL18082908 0.69 MEN1 (0.42) KDM4EALDH1A1POLBL3MBTL1NPSR1
SCHEMBL13215739 0.68 CYP2D6 (0.52) BCHEALDH1A1POLBL3MBTL1CYP2D6
SCHEMBL8232981 0.68 CYP2D6 (0.52) BCHEALDH1A1POLBL3MBTL1CYP2D6
SCHEMBL13036994 0.68 GRIN2D (0.47) BCHEALDH1A1L3MBTL1NPSR1CYP2D6
SCHEMBL12718219 0.68 BCHE (0.40) BCHECYP2D6
SCHEMBL9926453 0.68 BCHE (0.40) BCHECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239861-B2 Therapeutic compounds and uses thereof GENETECH, INC. (US) 2019-03-26 — — US disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 — — 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 (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-10239861-B2 Therapeutic compounds and uses thereof HDAC10, HDAC6, HDAC11 KAT2B 103/4885BCHE 3302/4885KDM4E 1434/4885
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC11 KAT2B 103/4885BCHE 3302/4885KDM4E 1434/4885

“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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