SCHEMBL932973

SCHEMBL932973

O=C(O)N1CCC[C@H]1c1nc(-c2ccc(-c3cnc4cc(Br)cnc4c3)cc2)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.36
HCRTR1 O43613 9/20 0.35
HCRTR2 O43614 9/20 0.35
GCK P35557 1/20 0.34
GRM5 P41594 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 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
SCHEMBL12661190 0.88 USP30 (0.41) PRCP
SCHEMBL2454437 0.86 HCRTR1 (0.38) PRCPHCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL27855003 0.85 HCRTR1 (0.39) HCRTR1HCRTR2CYP3A4
SCHEMBL3781488 0.85 HCRTR1 (0.39) HCRTR1HCRTR2CYP3A4
SCHEMBL932420 0.84 HCRTR1 (0.39) HCRTR1HCRTR2GRM5
SCHEMBL3448741 0.82 TP53 (0.39) HCRTR1HCRTR2CPT2CPT1A
SCHEMBL16499066 0.81 GRM5 (0.36) PRCPHCRTR1HCRTR2GRM5CPT2
SCHEMBL2363127 0.81 HCRTR1 (0.41) HCRTR1HCRTR2CPT2CPT1A
SCHEMBL18815729 0.79 CPT1A (0.40) PRCPHCRTR1HCRTR2GRM5CPT2
SCHEMBL6167855 0.78 CPT1A (0.43) CPT2CPT1A

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-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS PRCP 211/4885HCRTR1 4187/4885HCRTR2 4696/4885

“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.