SCHEMBL4254352

SCHEMBL4254352

Cc1cc(Cl)cc2c1N(CCC(C)C)C(=O)C21NC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 12/20 0.39
AKR1A1 P14550 3/20 0.39
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MMP2 P08253 3/20 0.31
ADAMTS5 Q9UNA0 2/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MMP17 Q9ULZ9 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 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
SCHEMBL4254387 0.88 CNR1 (0.42) AKR1B1AKR1A1CNR1MMP2ADAMTS5
SCHEMBL4260327 0.84 AKR1B1 (0.39) AKR1B1AKR1A1CNR1ALDH1A1
SCHEMBL4178111 0.84 AKR1B1 (0.39) AKR1B1AKR1A1ALDH1A1MMP2ADAMTS5
SCHEMBL4163352 0.83 AKR1B1 (0.38) AKR1B1AKR1A1ALDH1A1MMP2MMP3
SCHEMBL4160906 0.82 AKR1B1 (0.37) AKR1B1AKR1A1ALDH1A1MMP2MMP3
SCHEMBL4254379 0.82 AKR1B1 (0.39) AKR1B1AKR1A1CNR1MMP2ADAMTS5
SCHEMBL4255824 0.81 AKR1B1 (0.36) AKR1B1AKR1A1ALDH1A1MMP2MMP3
SCHEMBL4161031 0.81 CNR1 (0.46) AKR1B1AKR1A1CNR1ALDH1A1
SCHEMBL4260787 0.81 AKR1B1 (0.48) AKR1B1AKR1A1CNR1ALDH1A1
SCHEMBL4253008 0.81 AKR1B1 (0.39) AKR1B1AKR1A1CNR1MMP2MMP3

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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US claimed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV2, TRPV3 AKR1B1 366/4885AKR1A1 317/4885CNR1 18/4885

“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.