SCHEMBL10155499

SCHEMBL10155499

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccccc1C(=O)NCCN

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
P2RX4 Q99571 1/20 0.42
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17923432 0.85 TRPM8 (0.48) TRPM8SMN1; SMN2KDM4EP2RX4EPHX1
SCHEMBL10155415 0.85 TRPM8 (0.48) TRPM8SMN1; SMN2KDM4EP2RX4EPHX1
SCHEMBL10155490 0.85 TRPM8 (0.64) TRPM8SMN1; SMN2KDM4EEPHX1ALDH1A1
SCHEMBL4883688 0.82 TRPM8 (0.56) TRPM8KDM4ERAB9AP2RX4EPHX1
SCHEMBL4912015 0.82 TRPM8 (0.56) TRPM8KDM4ERAB9AP2RX4EPHX1
SCHEMBL4886225 0.81 TRPM8 (0.60) TRPM8SMN1; SMN2KDM4EP2RX4ALDH1A1
SCHEMBL10155503 0.81 TRPM8 (0.55) TRPM8P2RX4EPHX1ALDH1A1HPGD
SCHEMBL10155495 0.80 TRPM8 (0.55) TRPM8P2RX4EPHX1ALDH1A1HPGD
SCHEMBL18547871 0.78 EPHX1 (0.58) TRPM8EPHX1ALDH1A1HPGD
SCHEMBL18786381 0.78 EPHX1 (0.58) TRPM8EPHX1ALDH1A1HPGD

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 7/4885SMN1; SMN2 4023/4885KDM4E 3912/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 TRPM8 7/4885SMN1; SMN2 4023/4885KDM4E 3912/4885
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 TRPM8 7/4885SMN1; SMN2 4023/4885KDM4E 3912/4885

“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.