SCHEMBL20093387

SCHEMBL20093387

CC[C@H]1CCCCN1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 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
SCHEMBL13452774 1.00 KMT2A (0.39) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL12572936 1.00 KMT2A (0.39) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL15786185 0.98 KMT2A (0.41) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL21398646 0.98 KMT2A (0.41) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL23371066 0.98 KMT2A (0.41) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL11997996 0.93 CHRM3 (0.35) KMT2AHTTCHRM3
SCHEMBL58010 0.93 CHRM3 (0.35) KMT2AHTTCHRM3
SCHEMBL463540 0.93 CHRM3 (0.35) KMT2AHTTCHRM3
SCHEMBL17835201 0.84
SCHEMBL18269015 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173083-A1 TETRAHYDROINDOLE DERIVATIVES AS EGFR AND/OR HER2 INHIBTORS USEFUL FOR THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
US-20230135758-A1 ELONGATION FACTOR 1-ALPHA INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-05-04 US disclosed
WO-2021158899-A1 ELONGATION FACTOR 1-ALPHA INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-12 WO disclosed
US-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-30 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 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 (3 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-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof CDK3, CDK1, CDK14 KMT2A 3014/4885PSEN1 755/4885PSEN2 531/4885
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A KMT2A 2786/4885PSEN1 533/4885PSEN2 570/4885
US-20230135758-A1 ELONGATION FACTOR 1-ALPHA INHIBITORS AND USES THEREOF EEF1A1, EEF1B2, EEF1G KMT2A 3519/4885PSEN1 3905/4885PSEN2 4190/4885

“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.