SCHEMBL24724280

SCHEMBL24724280

Cc1cc(CN(C)[C@H](C)[C@H](C)c2ccccc2)on1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ PYCR1 P32322 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ VHL P40337 1/20 0.37
▸ GSTO1 P78417 2/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34

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
SCHEMBL20020392 0.70 KMT2A (0.56) NPBWR1MCHR1MAPK1KMT2AMEN1
SCHEMBL12092549 0.69 MEN1 (0.46) NPBWR1MCHR1MAPK1KMT2AMEN1
SCHEMBL6211759 0.66 MEN1 (0.55) NPBWR1MCHR1MAPK1KMT2AMEN1
SCHEMBL20320324 0.65 NPBWR1 (0.42) NPBWR1MCHR1KMT2AMEN1KDM4E
SCHEMBL14300869 0.65 MAPK1 (0.42) MAPK1KMT2AMEN1PYCR1KDM4E
SCHEMBL13039136 0.63 KDM4E (0.61) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3407812 0.63 KDM4E (0.61) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21340480 0.63 KDM4E (0.61) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL15308458 0.63 DRD2 (0.44) NPBWR1MCHR1MAPK1KMT2AMEN1
SCHEMBL18995687 0.63 MAOB (0.56) MAPK1PYCR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235082-A1 CATALYSTS THE UNIVERSITY OF WARWICK (GB) 2022-07-28 — — US 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-20220235082-A1 CATALYSTS TST, TCP1, CCT3 NPBWR1 4218/4885MCHR1 4661/4885MAPK1 3536/4885

“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.

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