SCHEMBL13627667

SCHEMBL13627667

CC[C@@H]1C[C@@H](Oc2ccc(Cl)cn2)CN1CC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
MMP1 P03956 1/20 0.36
HCRTR1 O43613 8/20 0.35
HCRTR2 O43614 8/20 0.35
IP6K1 Q92551 1/20 0.35
RET P07949 1/20 0.33

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
SCHEMBL10058621 1.00 FPR2 (0.38) FPR2PROKR1MMP1HCRTR1HCRTR2
SCHEMBL12849163 0.82 FPR2 (0.37) FPR2PROKR1MMP1HCRTR1HCRTR2
SCHEMBL12237054 0.79 HCRTR2 (0.39) HCRTR1HCRTR2
SCHEMBL12237056 0.78 TRPC3 (0.33)
SCHEMBL14534932 0.78 MMP1 (0.38) FPR2PROKR1MMP1HCRTR1HCRTR2
SCHEMBL21652006 0.76 FPR2 (0.47) FPR2PROKR1MMP1HCRTR1RET
SCHEMBL12237060 0.73 ALDH1A1 (0.44)
SCHEMBL14877536 0.73 FPR2 (0.43) FPR2PROKR1MMP1HCRTR1HCRTR2
SCHEMBL12827220 0.72 NPC1 (0.40) HCRTR1HCRTR2
SCHEMBL12849164 0.71 SLC6A2 (0.44)

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-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 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-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 FPR2 4187/4885PROKR1 2519/4885MMP1 957/4885

“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.