SCHEMBL5483337

SCHEMBL5483337

COc1cccc([C@]2(C#N)CC[C@H](NCc3ccc(C)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 3/20 0.43
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.40
FAAH O00519 1/20 0.39
NAAA Q02083 1/20 0.39
MGLL Q99685 1/20 0.39
PDE4B Q07343 1/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC22A1 O15245 1/20 0.38

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
SCHEMBL5465241 1.00 KMT2A (0.53) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5465248 1.00 KMT2A (0.53) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5473335 0.93 KMT2A (0.55) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5473342 0.93 KMT2A (0.55) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5473768 0.93 KMT2A (0.55) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5466092 0.91 ALDH1A1 (0.55) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5465162 0.91 ALDH1A1 (0.55) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5465166 0.91 ALDH1A1 (0.55) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL4878765 0.89 KMT2A (0.51) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL4881569 0.89 KMT2A (0.51) KMT2AALDH1A1MEN1OPRM1OPRL1

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 1301/4885ALDH1A1 2990/4885MEN1 3200/4885

“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.