SCHEMBL4524121

SCHEMBL4524121

COC(=O)C[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
BRD4 O60885 1/20 0.53
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.43
KCNA5 P22460 1/20 0.41
NR1H2 P55055 1/20 0.40
OPRL1 P41146 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LTA4H P09960 1/20 0.38
P2RX3 P56373 2/20 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
SCHEMBL10013282 1.00 KMT2A (0.59) KMT2ABRD4MAPK1MAPTKCNA5
SCHEMBL3123385 0.83 KMT2A (0.56) KMT2AMAPK1MAPTP2RX3
SCHEMBL3123375 0.83 KMT2A (0.56) KMT2AMAPK1MAPTP2RX3
SCHEMBL10013281 0.82 KMT2A (0.58) KMT2AMAPK1P2RX3
SCHEMBL577316 0.82 KMT2A (0.58) KMT2AMAPK1P2RX3
SCHEMBL576463 0.81 KMT2A (0.63) KMT2ABRD4MAPK1MAPTP2RX3
SCHEMBL5626616 0.81 KMT2A (0.63) KMT2ABRD4MAPK1MAPTP2RX3
SCHEMBL576462 0.81 KMT2A (0.63) KMT2ABRD4MAPK1MAPTP2RX3
SCHEMBL523899 0.81 KMT2A (0.63) KMT2ABRD4MAPK1MAPTP2RX3
SCHEMBL4529849 0.81 KMT2A (0.63) KMT2ABRD4MAPK1MAPTP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 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 (3 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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 KMT2A 2719/4885BRD4 883/4885MAPK1 3311/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 KMT2A 1836/4885BRD4 664/4885MAPK1 2867/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 KMT2A 2715/4885BRD4 832/4885MAPK1 3351/4885

“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.