SCHEMBL5470488

SCHEMBL5470488

N#C[C@]1(c2cccc(OCc3ccccc3)c2)CC[C@@H](N2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MGLL Q99685 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
ACHE P22303 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
CYP2D6 P10635 3/20 0.41
ADAM17 P78536 1/20 0.41
NR4A2 P43354 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 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
SCHEMBL5470491 1.00 ALDH1A1 (0.43) ALDH1A1MGLLHRH3ACHEOPRM1
SCHEMBL5478489 1.00 ALDH1A1 (0.43) ALDH1A1MGLLHRH3ACHEOPRM1
SCHEMBL5473407 0.89 YAP1 (0.45) ALDH1A1MGLLOPRM1OPRK1KDM4E
SCHEMBL5473403 0.89 YAP1 (0.45) ALDH1A1MGLLOPRM1OPRK1KDM4E
SCHEMBL5473628 0.89 YAP1 (0.45) ALDH1A1MGLLOPRM1OPRK1KDM4E
SCHEMBL5469243 0.89 KMT2A (0.48) ALDH1A1MGLLCYP2D6KDM4EKMT2A
SCHEMBL5469237 0.89 KMT2A (0.48) ALDH1A1MGLLCYP2D6KDM4EKMT2A
SCHEMBL5469239 0.89 KMT2A (0.48) ALDH1A1MGLLCYP2D6KDM4EKMT2A
SCHEMBL4882462 0.85 KMT2A (0.57) ALDH1A1MGLLCYP2D6KDM4EKMT2A
SCHEMBL4882471 0.85 KMT2A (0.57) ALDH1A1MGLLCYP2D6KDM4EKMT2A

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 ALDH1A1 2990/4885MGLL 1254/4885HRH3 99/4885

“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.