SCHEMBL21731334

SCHEMBL21731334

CC(C)c1ccc(N2CCN(C3CCNCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
KHK P50053 6/20 0.46
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM2B Q8NHM5 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GRIN2B Q13224 1/20 0.42
MEN1 O00255 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRB1 P08588 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL10169300 0.89 KMT2A (0.53) KMT2AL3MBTL3L3MBTL1KDM2BHRH3
SCHEMBL21731341 0.88 L3MBTL3 (0.53) KMT2AKHKL3MBTL3L3MBTL1KDM2B
SCHEMBL21026598 0.86 SIGMAR1 (0.53) KMT2AL3MBTL3L3MBTL1KDM2BHRH3
SCHEMBL10169301 0.86 KDM2B (0.53) KMT2AL3MBTL3L3MBTL1KDM2BHRH3
SCHEMBL14923973 0.84 SIGMAR1 (0.55) KMT2AL3MBTL3L3MBTL1KDM2BHRH3
SCHEMBL14923967 0.83 KMT2A (0.51) KMT2AL3MBTL3L3MBTL1KDM2BGRIN2B
SCHEMBL17660589 0.83 L3MBTL1 (0.48) KMT2AL3MBTL3L3MBTL1KDM2BGRIN2B
SCHEMBL23422562 0.83 ADRB1 (0.62) KMT2AKHKL3MBTL3L3MBTL1GRIN2B
SCHEMBL656889 0.80 ADRB1 (0.62) SIGMAR1KDM4EADRB1HTR3EHTR3B
SCHEMBL11977006 0.80 L3MBTL3 (0.54) KMT2AL3MBTL3L3MBTL1KDM2BHRH3

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-20210332029-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-10-28 US disclosed
WO-2020036386-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER 한국화학연구원 2020-02-20 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 (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-20210332029-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER EGFR, TP53, BRCA1 KMT2A 3598/4885KHK 4347/4885L3MBTL3 4801/4885

“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.