SCHEMBL4880771

SCHEMBL4880771

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
KDM1A O60341 1/20 0.51
SLC6A4 P31645 8/20 0.43
PDE4B Q07343 1/20 0.43
SLC6A2 P23975 7/20 0.42
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC22A1 O15245 3/20 0.40
OPRM1 P35372 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL4887052 1.00 KMT2A (0.65) KMT2AKDM1ASLC6A4PDE4BSLC6A2
SCHEMBL4880766 1.00 KMT2A (0.65) KMT2AKDM1ASLC6A4PDE4BSLC6A2
SCHEMBL1007128 0.87 KMT2A (0.78) KMT2AKDM1ASLC6A4SLC6A2SLC6A3
SCHEMBL5476780 0.86 KMT2A (0.65) KMT2AKDM1ASLC6A4PDE4BSLC6A2
SCHEMBL7539835 0.84 KMT2A (0.74) KMT2AKDM1ASLC6A4SLC6A2SLC6A3
SCHEMBL7387709 0.84 KMT2A (0.74) KMT2AKDM1ASLC6A4SLC6A2SLC6A3
SCHEMBL4876906 0.83 KMT2A (0.61) KMT2AKDM1ASLC6A4PDE4BSLC6A2
SCHEMBL6313636 0.82 KMT2A (0.72) KMT2AKDM1ASLC6A4SLC6A2SLC6A3
SCHEMBL23778358 0.81 KMT2A (0.70) KMT2AKDM1ASLC6A4PDE4BSLC6A2
SCHEMBL5469900 0.81 KMT2A (0.58) KMT2ASLC6A4PDE4BSLC6A2SLC6A3

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 1132/4885KDM1A 1932/4885SLC6A4 632/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885KDM1A 716/4885SLC6A4 2414/4885

“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.