SCHEMBL4876906

SCHEMBL4876906

COc1cccc(C2(C#N)CCC(c3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
PDE4B Q07343 2/20 0.45
HTR2C P28335 2/20 0.45
KDM1A O60341 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 2/20 0.41
F11 P03951 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DRD2 P14416 1/20 0.40
MAPT P10636 1/20 0.40
GID4 Q8IVV7 1/20 0.40
PDE4A P27815 1/20 0.39

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
SCHEMBL1007128 0.83 KMT2A (0.78) KMT2AKDM1AALDH1A1SLC6A4OPRM1
SCHEMBL4887052 0.83 KMT2A (0.65) KMT2APDE4BKDM1AALDH1A1SLC6A4
SCHEMBL5476780 0.83 KMT2A (0.65) KMT2APDE4BKDM1AALDH1A1SLC6A4
SCHEMBL4880771 0.83 KMT2A (0.65) KMT2APDE4BKDM1AALDH1A1SLC6A4
SCHEMBL4880766 0.83 KMT2A (0.65) KMT2APDE4BKDM1AALDH1A1SLC6A4
SCHEMBL5473465 0.81 KMT2A (0.57) KMT2APDE4BKDM1ASLC6A4
SCHEMBL5473460 0.81 KMT2A (0.57) KMT2APDE4BKDM1ASLC6A4
SCHEMBL7539835 0.81 KMT2A (0.74) KMT2AKDM1AKDM4EALDH1A1LMNA
SCHEMBL7387709 0.81 KMT2A (0.74) KMT2AKDM1AKDM4EALDH1A1LMNA
SCHEMBL5466092 0.80 ALDH1A1 (0.55) KMT2APDE4BKDM1AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 KMT2A 1132/4885PDE4B 1117/4885HTR2C 2171/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885PDE4B 1491/4885HTR2C 2201/4885

“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.