SCHEMBL5475211

SCHEMBL5475211

COc1cccc(C2(C#N)CCC(NC3CCN(Cc4ccccc4)CC3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
SIGMAR1 Q99720 6/20 0.53
CXCR3 P49682 2/20 0.53
OPRM1 P35372 1/20 0.52
MEN1 O00255 1/20 0.51
MCHR1 Q99705 2/20 0.49
CHRM4 P08173 1/20 0.47
CHRM2 P08172 2/20 0.46
CHRM3 P20309 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
OPRL1 P41146 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL5475207 1.00 KMT2A (0.54) KMT2ASIGMAR1CXCR3OPRM1MEN1
SCHEMBL4872137 0.86 OPRM1 (0.70) KMT2ASIGMAR1OPRM1OPRL1
SCHEMBL8052905 0.86 OPRM1 (0.69) KMT2ACXCR3OPRM1MEN1CHRM4
Hydrochloric Acid SCHEMBL8355555 0.85 OPRM1 (0.68) KMT2ASIGMAR1OPRM1OPRL1
SCHEMBL5480842 0.85 KMT2A (0.57) KMT2ASIGMAR1OPRM1MEN1CHRM4
SCHEMBL5478395 0.85 KMT2A (0.55) KMT2ASIGMAR1OPRM1CHRM2CHRM3
SCHEMBL5469268 0.85 KMT2A (0.55) KMT2ASIGMAR1OPRM1CHRM2CHRM3
SCHEMBL5469271 0.85 KMT2A (0.55) KMT2ASIGMAR1OPRM1CHRM2CHRM3
SCHEMBL5470199 0.84 KMT2A (0.72) KMT2ASIGMAR1CXCR3OPRM1
SCHEMBL5470195 0.84 KMT2A (0.72) KMT2ASIGMAR1CXCR3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US 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 (1 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885SIGMAR1 55/4885CXCR3 431/4885

“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.