SCHEMBL8104636

SCHEMBL8104636

CN(C)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ccccc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 7/20 0.50
GALR1 P47211 5/20 0.50
DCTPP1 Q9H773 1/20 0.42
IGF1R P08069 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
HTR2C P28335 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
BRAF P15056 1/20 0.40
SCN9A Q15858 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
SCHEMBL6795082 0.87 ACHE (0.54) TSHRLMNAHTR2CMAPTHTR2A
SCHEMBL8403164 0.85 HTT (0.42) GALR2GALR1DCTPP1TSHRLMNA
SCHEMBL3246394 0.81 MAPT (0.57) GALR2GALR1IGF1RLMNAJAK2
SCHEMBL5447231 0.80 IDH2 (0.48) DCTPP1LMNAJAK2JAK3PTK2
SCHEMBL18162563 0.79 PKM (0.52) LMNAMAPTMEN1HTTKMT2A
SCHEMBL3242771 0.78 LMNA (0.49) GALR2GALR1LMNAJAK2JAK3
SCHEMBL8263323 0.78 GALR2 (0.59) GALR2GALR1HTR2CMAPTMEN1
SCHEMBL8096610 0.76 MAPT (0.53) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL3240269 0.76 LMNA (0.52) GALR2GALR1IGF1RLMNAJAK2
SCHEMBL8253256 0.76 LMNA (0.52) GALR2GALR1IGF1RLMNAJAK2

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 3/4885DCTPP1 1768/4885

“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.