SCHEMBL3601182

SCHEMBL3601182

C[C@@H]1C[C@H](CO)CN1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
GBA1 P04062 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL2271581 1.00 MAPT (0.65) MAPTPDK1PDK2PDK3PDK4
SCHEMBL3601179 1.00 MAPT (0.65) MAPTPDK1PDK2PDK3PDK4
SCHEMBL3597729 1.00 MAPT (0.65) MAPTPDK1PDK2PDK3PDK4
SCHEMBL3597725 1.00 MAPT (0.65) MAPTPDK1PDK2PDK3PDK4
SCHEMBL17048017 1.00 MAPT (0.65) MAPTPDK1PDK2PDK3PDK4
SCHEMBL28053573 0.84 SIGMAR1 (0.54) MAPTGBA1SIGMAR1
SCHEMBL22873347 0.84 MAPT (0.54) MAPTDRD2DRD3GBA1SIGMAR1
SCHEMBL17453685 0.84 MAPT (0.60) MAPTPDK1PDK2PDK3PDK4
SCHEMBL17453682 0.84 MAPT (0.60) MAPTPDK1PDK2PDK3PDK4
SCHEMBL19102147 0.84 MAPT (0.60) MAPTPDK1PDK2PDK3PDK4

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
EP-2913333-A1 3H-thieno[3,4]pyrimidin-4-one and pyrrolopyrimidone as gram-positive antibacterial agents LABORATOIRE BIODIM (FR) 2015-09-02 EP disclosed
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 4707/4885PDK1 2788/4885PDK2 2437/4885

“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.