SCHEMBL17335669

SCHEMBL17335669

CCC(=O)NCc1ccc(-c2nnn[nH]2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
HPGD P15428 1/20 0.36
PTGES O14684 3/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL17335692 0.80 POLB (0.44) HPGDROCK2
SCHEMBL14709912 0.79 ALDH1A1 (0.33) HPGDROCK1
SCHEMBL17335671 0.78 AOC3 (0.45) P2RX7
SCHEMBL5830160 0.75 ROCK1 (0.32) PTGESROCK1
SCHEMBL1456919 0.74 P2RX7 (0.49) P2RX7HPGD
SCHEMBL1456923 0.74 P2RX7 (0.49) P2RX7HPGD
SCHEMBL31036978 0.74 P2RX7 (0.49) P2RX7HPGD
SCHEMBL12880436 0.72 MEN1 (0.36)
SCHEMBL23417762 0.72 TRPV1 (0.51)
SCHEMBL25558429 0.72 MMP13 (0.46) HPGD

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-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 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-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB P2RX7 2085/4885HPGD 137/4885PTGES 544/4885

“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.