SCHEMBL10155503

SCHEMBL10155503

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccccc1NC(=O)CN

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.55
P2RX4 Q99571 1/20 0.52
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 2/20 0.41
KCNA5 P22460 1/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TRPV1 Q8NER1 4/20 0.38
LMNA P02545 1/20 0.38
ADRA2C P18825 1/20 0.37

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
SCHEMBL10155510 0.85 TRPM8 (0.77) TRPM8P2RX4EPHX1ALDH1A1TRPV1
SCHEMBL4141645 0.83 TRPM8 (0.57) TRPM8P2RX4EPHX1ALDH1A1KCNA5
SCHEMBL28946956 0.83 TRPM8 (0.56) TRPM8P2RX4EPHX1ALDH1A1
SCHEMBL2628761 0.83 TRPM8 (0.58) TRPM8P2RX4EPHX1ALDH1A1HPGD
SCHEMBL4812089 0.83 P2RX4 (0.61) TRPM8P2RX4EPHX1ALDH1A1KCNA5
SCHEMBL2628773 0.83 TRPM8 (0.58) TRPM8P2RX4EPHX1ALDH1A1KCNA5
SCHEMBL2628771 0.82 TRPM8 (0.57) TRPM8P2RX4EPHX1ALDH1A1TRPV1
SCHEMBL4912015 0.81 TRPM8 (0.56) TRPM8P2RX4EPHX1ALDH1A1KCNA5
SCHEMBL4883688 0.81 TRPM8 (0.56) TRPM8P2RX4EPHX1ALDH1A1KCNA5
SCHEMBL10155499 0.81 TRPM8 (0.48) TRPM8P2RX4EPHX1ALDH1A1HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-09-06 US disclosed
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-09-06 US disclosed
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US disclosed
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US disclosed
US-7772266-B2 treating or preventing benign prostatic hyperplasia, enlarged prostate, acute urinary retention with 2-Isopropyl-5-methyl-cyclohexanecarboxylic acid (2-amino-2-phenyl-ethyl)-amide; agonists or antagonists of a transient receptor potential proteins; anticarcinogenic agent DENDREON CORPORATION (US) 2010-08-10 US disclosed
US-7772266-B2 treating or preventing benign prostatic hyperplasia, enlarged prostate, acute urinary retention with 2-Isopropyl-5-methyl-cyclohexanecarboxylic acid (2-amino-2-phenyl-ethyl)-amide; agonists or antagonists of a transient receptor potential proteins; anticarcinogenic agent DENDREON CORPORATION (US) 2010-08-10 US disclosed
US-7741355-B2 Small-molecule modulators of TRP-p8 activity DENDREON CORPORATION (US) 2010-06-22 US disclosed
US-7741355-B2 Small-molecule modulators of TRP-p8 activity DENDREON CORPORATION (US) 2010-06-22 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 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 (3 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-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 TRPM8 7/4885P2RX4 81/4885EPHX1 2888/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 TRPM8 7/4885P2RX4 81/4885EPHX1 2888/4885
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 TRPM8 7/4885P2RX4 81/4885EPHX1 2888/4885

“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.