SCHEMBL8089247

SCHEMBL8089247

COc1cccc(N2CCN(c3nc(Nc4ccc(C)cc4)cc(N(C)C)n3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 5/20 0.55
GALR1 P47211 4/20 0.55
MAPT P10636 5/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PHGDH O43175 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PIK3CA P42336 1/20 0.43
PKM P14618 1/20 0.43
DRD4 P21917 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYBB P04839 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
SCHEMBL3242771 0.89 LMNA (0.49) GALR2GALR1MAPTPHGDHLMNA
SCHEMBL6764089 0.87 CASP1 (0.54) GALR2GALR1MAPTMAPK1TAAR1
SCHEMBL8263323 0.87 GALR2 (0.59) GALR2GALR1MAPTNPC1MEN1
SCHEMBL8256922 0.87 LMNA (0.47) GALR2GALR1MAPTLMNASCN9A
SCHEMBL6790622 0.86 GALR2 (0.46) GALR2GALR1MAPTMAPK1TAAR1
SCHEMBL3246394 0.86 MAPT (0.57) GALR2GALR1MAPTMAPK1TAAR1
SCHEMBL6710674 0.85 GALR2 (0.55) GALR2GALR1MAPTNPC1LMNA
SCHEMBL8256924 0.82 GALR2 (0.56) GALR2GALR1MAPTMAPK1LMNA
SCHEMBL23221427 0.81 GALR2 (0.54) GALR2GALR1MAPTMAPK1TAAR1
SCHEMBL6788779 0.81 GALR2 (0.54) GALR2GALR1MAPTMAPK1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 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-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 GALR2 2/4885GALR1 3/4885MAPT 3177/4885

“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.