SCHEMBL1109595

SCHEMBL1109595

CC(C)C1CCCN(C)CCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
CHRM3 P20309 3/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NCF1 P14598 1/20 0.32
LMNA P02545 1/20 0.31
OPRM1 P35372 2/20 0.30
OPRK1 P41145 2/20 0.30
OPRL1 P41146 2/20 0.30
OPRD1 P41143 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL19844786 0.95 NCF1 (0.34) KDM4ECHRM3TP53ALDH1A1HTT
SCHEMBL2741654 0.95 NCF1 (0.34) KDM4ECHRM3TP53ALDH1A1HTT
SCHEMBL19242182 0.95 NCF1 (0.34) KDM4ECHRM3TP53ALDH1A1HTT
SCHEMBL26057811 0.95 KDM4E (0.38) KDM4ECHRM3TP53ALDH1A1LMNA
SCHEMBL463378 0.85 CACNA2D1 (0.35) HTT
SCHEMBL462404 0.85 CACNA2D1 (0.35) HTT
SCHEMBL15837593 0.85 CACNA2D1 (0.35) HTT
SCHEMBL105239 0.83 NCF1 (0.40) NCF1OPRM1OPRK1OPRL1OPRD1
SCHEMBL13890375 0.78 KAT2B (0.35) KDM4ECHRM3TP53
SCHEMBL17173932 0.78 KAT2B (0.35) KDM4ECHRM3TP53

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
EP-3515448-B1 COMBINATORY TREATMENT STRATEGIES OF CANCER BASED ON RNA POLYMERASE I INHIBITION UNIV JOHNS HOPKINS (US) 2023-07-05 EP disclosed
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2021-10-28 US disclosed
US-11008572-B2 Methods and compositions for modulating splicing SKYHAWK THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-20200277289-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2020-09-03 US disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 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 (4 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-11008572-B2 Methods and compositions for modulating splicing RBM17, SF3B1, SNRPA1 KDM4E 2530/4885CHRM3 4629/4885TP53 1932/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 KDM4E 718/4885CHRM3 236/4885TP53 417/4885
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER PGK1, PHKG1, NEK1 KDM4E 1246/4885CHRM3 4438/4885TP53 531/4885
US-20200277289-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING RBM17, SF3B1, SNRPA1 KDM4E 2530/4885CHRM3 4629/4885TP53 1932/4885

“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.