SCHEMBL17207482

SCHEMBL17207482

Cc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR8 P51685 1/20 0.52
CTSS P25774 2/20 0.46
CYP2A6 P11509 1/20 0.46
TRPV3 Q8NET8 2/20 0.44
KDM1A O60341 1/20 0.43
LMNA P02545 2/20 0.41
PTGS2 P35354 2/20 0.41
TGFBR1 P36897 2/20 0.41
HSD11B1 P28845 1/20 0.40
CTSK P43235 1/20 0.39
KMO O15229 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL4936538 0.89 CCR1 (0.44) CCR1CCR8CTSSCYP2A6TRPV3
SCHEMBL2615262 0.88 CTSS (0.60) CCR1CCR8CTSSCYP2A6KDM1A
SCHEMBL26233974 0.84 CCR1 (0.54) CCR1CCR8CYP2A6TGFBR1METAP2
SCHEMBL2615265 0.84 CCR1 (0.54) CCR1CCR8CYP2A6TRPV3HSD11B1
SCHEMBL18758860 0.83 CYP2A6 (0.53) CCR1CCR8CTSSCYP2A6TRPV3
SCHEMBL13483700 0.80 CCR1 (0.71) CCR1CCR8CYP2A6TGFBR1METAP2
SCHEMBL19072770 0.80 CTSS (0.47) CTSSTRPV3KDM1ACTSKKMO
SCHEMBL19072771 0.80 CTSS (0.47) CTSSTRPV3KDM1ATGFBR1
SCHEMBL4451357 0.79 CTSS (0.46) CTSSTRPV3KDM1AKMO
SCHEMBL19248536 0.77 IDH1 (0.47) CTSSTGFBR1

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-20150307496-A1 NOVEL TRICYCLIC 3,4-DIHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-1,6-DIONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-29 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-20150307496-A1 NOVEL TRICYCLIC 3,4-DIHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-1,6-DIONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CCR1 4250/4885CCR8 4770/4885CTSS 37/4885

“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.