SCHEMBL5475853

SCHEMBL5475853

COc1cccc(C2(C#N)CCC(N3CCN(C)CC3)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.75
SLC6A4 P31645 2/20 0.46
OPRM1 P35372 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL5475847 1.00 KMT2A (0.75) KMT2ASLC6A4OPRM1SLC6A2SLC6A3
SCHEMBL5475198 0.92 KMT2A (0.77) KMT2ASLC6A4OPRM1SLC6A2SLC6A3
SCHEMBL5469097 0.91 KMT2A (0.64) KMT2ASLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL5469094 0.91 KMT2A (0.64) KMT2ASLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL5482311 0.88 KMT2A (0.61) KMT2ASLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL5469632 0.88 KMT2A (0.61) KMT2ASLC6A4SIGMAR1PDCD1CD274
SCHEMBL5469627 0.88 KMT2A (0.61) KMT2ASLC6A4SIGMAR1PDCD1CD274
SCHEMBL5482313 0.88 KMT2A (0.61) KMT2ASLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL5772537 0.88 KMT2A (0.61) KMT2ASLC6A4SLC6A2SLC6A3SIGMAR1
Hydrochloric Acid SCHEMBL4876770 0.87 KMT2A (0.60) KMT2ASLC6A4OPRM1SLC6A2SLC6A3

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 1301/4885SLC6A4 2414/4885OPRM1 211/4885

“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.