SCHEMBL4403559

SCHEMBL4403559

Cc1ccc(N2CCN(CCN)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.55
CYP2D6 P10635 1/20 0.54
ALDH1A1 P00352 1/20 0.50
DRD2 P14416 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ADRB1 P08588 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR7 P34969 1/20 0.48
KCNH2 Q12809 2/20 0.46

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
SCHEMBL11644120 0.89 CYP2D6 (0.70) MAPTNPSR1HSD17B10CYP2D6ALDH1A1
SCHEMBL11073634 0.88 HSD17B10 (0.63) MAPTNPSR1HSD17B10CYP2D6ALDH1A1
SCHEMBL14924483 0.85 MAPT (0.61) MAPTNPSR1HSD17B10CYP2D6DRD2
SCHEMBL15651612 0.83 MAPT (0.65) MAPTNPSR1HSD17B10CYP2D6ALDH1A1
SCHEMBL20231203 0.83 MAPT (0.63) MAPTNPSR1ALDH1A1DRD2KDM4E
SCHEMBL6152128 0.83 MAPT (0.65) MAPTNPSR1HSD17B10CYP2D6ALDH1A1
SCHEMBL81904 0.83 DRD2 (0.70) MAPTNPSR1DRD2KDM4EGAA
SCHEMBL7739933 0.81 MAPT (0.61) MAPTNPSR1DRD2KDM4EGAA
SCHEMBL82832 0.81 MAPT (0.61) MAPTNPSR1DRD2SIGMAR1ADRB1
SCHEMBL5185973 0.81 CYP2D6 (0.54) MAPTHSD17B10CYP2D6DRD2KDM4E

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-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
WO-2024233922-A2 PYRIDINE-PIPERAZINE-BASED SCAFFOLDS AS HIGHLY POTENT AND SELECTIVE NEUROLYSIN ACTIVATORS TEXAS TECH UNIVERSITY SYSTEM (US) 2024-11-14 WO disclosed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 MAPT 2497/4885NPSR1 2911/4885HSD17B10 2297/4885

“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.