SCHEMBL6895876

SCHEMBL6895876

COc1cccc(Nc2cc(N(C)C)nc(N3CCN(C(C)C4CCCO4)CC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 7/20 0.50
GALR1 P47211 5/20 0.50
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
PIK3CA P42336 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HTR2C P28335 4/20 0.40
HTR2A P28223 2/20 0.39
GBA1 P04062 1/20 0.39
SRC P12931 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3247983 0.84 USP2 (0.54) GALR2GALR1USP2CYP1A2CYP3A4
SCHEMBL6895881 0.81 GALR2 (0.49) GALR2GALR1USP2CYP1A2CYP3A4
SCHEMBL8097371 0.79 GALR2 (0.57) GALR2GALR1PIK3CACTSLCTSB
SCHEMBL8263323 0.78 GALR2 (0.59) GALR2GALR1CYP1A2CYP2C9CTSL
SCHEMBL6788539 0.77 GALR2 (0.54) GALR2GALR1PIK3CAHTR2CHTR2A
SCHEMBL3242747 0.77 GALR2 (0.60) GALR2GALR1PIK3CACTSLCTSB
SCHEMBL3247288 0.76 GALR1 (0.55) GALR2GALR1LMNA
SCHEMBL8256921 0.75 GALR2 (0.56) GALR2GALR1CTSLCTSBCTSS
SCHEMBL8256924 0.75 GALR2 (0.56) GALR2GALR1LMNACTSLCTSB
SCHEMBL6710674 0.75 GALR2 (0.55) GALR2GALR1CYP3A4CYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression SYNAPTIC PHARMACEUTICAL CORPORATION 2004-07-01 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-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 GALR2 2/4885GALR1 3/4885USP2 4559/4885

“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.