SCHEMBL2507003

SCHEMBL2507003

C[C@H](NC(=O)c1cccnc1)C(=O)N1CCN(c2c(F)cc(N3C(=O)OCC3Cn3cc(CF)nn3)cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
PREP P48147 2/20 0.36
FAP Q12884 1/20 0.36
P2RX3 P56373 5/20 0.35
P2RX2 Q9UBL9 5/20 0.35
ACACB O00763 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDH1 O75874 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL2508202 0.89 HRH3 (0.40) HRH3PREPFAPP2RX3P2RX2
SCHEMBL12196635 0.86 CYP3A4 (0.42) HRH3PREPFAP
SCHEMBL18059599 0.86 CYP3A4 (0.42) HRH3PREPFAP
SCHEMBL2504992 0.83 HRH3 (0.42) HRH3PREPFAPP2RX3P2RX2
SCHEMBL12196758 0.82 MAOA (0.44) HRH3PREPFAP
SCHEMBL2478686 0.80 MAOA (0.33)
SCHEMBL12196690 0.79 MAOA (0.46) HRH3PREPFAP
SCHEMBL2501176 0.77 KDM1A (0.40)
SCHEMBL12196674 0.77 MAOA (0.40) HRH3PREPFAP
SCHEMBL12197576 0.76 MAOA (0.41)

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-8841306-B2 Antimicrobials PANACEA BIOTEC LTD. (IN) 2014-09-23 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 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-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 HRH3 3730/4885PREP 982/4885FAP 2179/4885

“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.