SCHEMBL3604990

SCHEMBL3604990

CC1CC(C)(CO)CN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
GRM6 O15303 1/20 0.42
LMNA P02545 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
AMPD2 Q01433 1/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL4391046 0.81 MAPT (0.47) MAPTGRM6LMNAMEN1TSHR
SCHEMBL27635261 0.76 MAPT (0.43) MAPTGRM6LMNAGAATMEM97
SCHEMBL4401474 0.75 MAPT (0.45) MAPTGRM6LMNATMEM97
SCHEMBL21563539 0.75 MAPT (0.46) MAPTGRM6LMNAPDK1PDK2
SCHEMBL22525231 0.75 MAPT (0.46) MAPTGRM6LMNAPDK1PDK2
SCHEMBL10568126 0.73 MAPT (0.46) MAPTGRM6MEN1TSHRKMT2A
SCHEMBL2205566 0.73 MAPT (0.43) MAPTGRM6TSHRKMT2ATMEM97
SCHEMBL21057421 0.72 MAPT (0.45) MAPTGRM6GAATMEM97
SCHEMBL4395795 0.72 MAPT (0.42) MAPTGRM6LMNATMEM97
SCHEMBL24801996 0.71 MAPT (0.44) MAPTLMNAMEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 MAPT 4707/4885GRM6 1488/4885LMNA 4612/4885

“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.