SCHEMBL8089157

SCHEMBL8089157

CN(C)c1cc(Nc2cccc(OCc3ccccc3)c2)nc(N2CCN(c3ccccc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 5/20 0.46
GALR1 P47211 5/20 0.46
F10 P00742 2/20 0.44
MAPT P10636 3/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR2 Q92731 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2C P28335 2/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL8092924 0.95 GALR2 (0.46) GALR2GALR1F10MAPTUSP2
SCHEMBL8254491 0.94 F10 (0.44) GALR2GALR1F10MAPTUSP2
SCHEMBL8254144 0.93 JAK2 (0.46) GALR2GALR1F10MAPTUSP2
SCHEMBL6790623 0.93 MAOB (0.42) GALR2GALR1F10MAPTUSP2
SCHEMBL6352398 0.93 GALR1 (0.45) GALR2GALR1F10MAPK1HTT
SCHEMBL6356253 0.92 GALR2 (0.53) GALR2GALR1F10CTSVCTSL
SCHEMBL6353168 0.91 GALR2 (0.55) GALR2GALR1LMNACTSVCTSL
SCHEMBL6788494 0.91 KDM4E (0.48) GALR2GALR1MAPTKMT2AHTT
SCHEMBL6790622 0.90 GALR2 (0.46) GALR2GALR1F10MAPTUSP2
SCHEMBL8247755 0.89 GALR2 (0.42) GALR2GALR1F10MAPK1HTT

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 3/4885F10 2466/4885

“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.