SCHEMBL4716797

SCHEMBL4716797

C[C@H](c1ccccc1)N1CCC(C(=O)C2CCN([C@H](C)c3ccccc3)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 1/20 0.48
MC4R P32245 1/20 0.47
LTA4H P09960 1/20 0.47
DRD4 P21917 1/20 0.47
ALDH1A1 P00352 3/20 0.47
OPRM1 P35372 3/20 0.45
OPRK1 P41145 2/20 0.45
OPRL1 P41146 2/20 0.45
OPRD1 P41143 1/20 0.44
NOTUM Q6P988 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4716794 1.00 CYP2D6 (0.53) CYP2D6KMT2AMC4RLTA4HDRD4
SCHEMBL6880730 0.97 CYP2D6 (0.50) CYP2D6KMT2AMC4RLTA4HDRD4
SCHEMBL6168209 0.97 CYP2D6 (0.50) CYP2D6KMT2AMC4RLTA4HDRD4
SCHEMBL28468740 0.91 KMT2A (0.55) CYP2D6KMT2AMC4RLTA4HDRD4
SCHEMBL10380722 0.91 KMT2A (0.55) CYP2D6KMT2AMC4RLTA4HDRD4
SCHEMBL28467514 0.91 KMT2A (0.55) CYP2D6KMT2AMC4RLTA4HDRD4
SCHEMBL28467515 0.91 KMT2A (0.55) CYP2D6KMT2AMC4RLTA4HDRD4
SCHEMBL28467467 0.91 KMT2A (0.55) CYP2D6KMT2AMC4RLTA4HDRD4
SCHEMBL28467466 0.91 KMT2A (0.55) CYP2D6KMT2AMC4RLTA4HDRD4
SCHEMBL28469518 0.91 KMT2A (0.55) CYP2D6KMT2AMC4RLTA4HDRD4

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
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 EP disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 US disclosed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 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-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient PGD, PPA1, FASTKD1 CYP2D6 2432/4885KMT2A 4178/4885MC4R 4416/4885

“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.