SCHEMBL19853574

SCHEMBL19853574

CC1CCC(N2CCC(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.46
ALOX15 P16050 1/20 0.46
DHCR7 Q9UBM7 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EBP Q15125 2/20 0.41
HRH3 Q9Y5N1 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34

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
SCHEMBL14175056 1.00 KDM4E (0.47) KDM4EALDH1A1POLBALOX15DHCR7
SCHEMBL18411956 0.97 KDM4E (0.48) KDM4EALDH1A1POLBALOX15DHCR7
SCHEMBL26118274 0.97 KDM4E (0.47) KDM4EALDH1A1POLBALOX15DHCR7
SCHEMBL82615 0.97 KDM4E (0.47) KDM4EALDH1A1POLBALOX15DHCR7
SCHEMBL21931367 0.92 KDM4E (0.47) KDM4EALDH1A1POLBALOX15DHCR7
SCHEMBL18976856 0.91 KDM4E (0.53) KDM4EALDH1A1POLBALOX15DHCR7
SCHEMBL14355433 0.91 KDM4E (0.53) KDM4EALDH1A1POLBALOX15DHCR7
SCHEMBL12226749 0.90 KDM4E (0.50) KDM4EALDH1A1POLBALOX15DHCR7
Cyanide SCHEMBL27977140 0.89 KDM4E (0.43) KDM4EALDH1A1POLBALOX15DHCR7
SCHEMBL12226750 0.88 KDM4E (0.44) KDM4EALDH1A1POLBALOX15HRH3

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
WO-2023093728-A1 BRM SELECTIVE DEGRADATION AGENT COMPOUND AND USE THEREOF 江苏先声药业有限公司 2023-06-01 WO disclosed
WO-2020140053-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140052-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140054-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140055-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
EP-3200789-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-11-06 EP disclosed
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KDM4E 1933/4885ALDH1A1 2339/4885POLB 2792/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 KDM4E 1933/4885ALDH1A1 2339/4885POLB 2792/4885

“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.