SCHEMBL3227035

SCHEMBL3227035

C[N+]1(Cc2ccccc2)CC2C(CNC(=O)Cc3cccc(-c4ccc(F)cc4)c3O)C2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 3/20 0.38
SRC P12931 2/20 0.36
KCNA5 P22460 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
KMT2A Q03164 5/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HTR7 P34969 1/20 0.34
AIMP2 Q13155 1/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3226494 0.84 KCNA5 (0.34) ALDH1A1KCNA5LIPGLMNA
SCHEMBL3219719 0.77 CHRM3 (0.33) ALDH1A1KCNA5LMNA
SCHEMBL3227028 0.72 PLK4 (0.38) RAB9ALMNANPC1
SCHEMBL3227023 0.68 MMP1 (0.50) LMNA
SCHEMBL3224776 0.65 CHRM3 (0.35) KCNA5LIPGKMT2AMEN1KDM4E
SCHEMBL3213550 0.65 KMT2A (0.35) ALDH1A1KMT2ATSHR
SCHEMBL2391383 0.64 SLC6A4 (0.49) ALDH1A1RAB9AKCNA5LIPGKMT2A
SCHEMBL3201433 0.62 SMN1; SMN2 (0.39) ALDH1A1RAB9AKMT2AGAAMEN1
SCHEMBL3507028 0.61 MMP1 (0.57) KMT2A
SCHEMBL4619074 0.60 AKR1B1 (0.41) ALDH1A1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US claimed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP claimed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 WO claimed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP disclosed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 WO 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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 ALDH1A1 2093/4885RAB9A 1449/4885SRC 2777/4885

“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.