SCHEMBL5400523

SCHEMBL5400523

CC1CCC(C(C)C)C(C(=O)Nc2ccc(I)c3ccccc23)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.53
EPHX1 P07099 1/20 0.43
P2RX4 Q99571 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KCNA5 P22460 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2628773 0.87 TRPM8 (0.58) TRPM8EPHX1P2RX4ALDH1A1HPGD
SCHEMBL4820315 0.84 TRPM8 (0.55) TRPM8EPHX1P2RX4ALDH1A1KDM4E
SCHEMBL2628761 0.80 TRPM8 (0.58) TRPM8EPHX1P2RX4ALDH1A1HPGD
SCHEMBL4812089 0.80 P2RX4 (0.61) TRPM8EPHX1P2RX4ALDH1A1HPGD
SCHEMBL2628771 0.79 TRPM8 (0.57) TRPM8EPHX1P2RX4ALDH1A1TRPV1
SCHEMBL5442957 0.79 TRPM8 (0.73) TRPM8EPHX1TRPV1
SCHEMBL14564501 0.79 TRPM8 (0.73) TRPM8EPHX1TRPV1
SCHEMBL5391878 0.78 TRPM8 (0.55) TRPM8EPHX1P2RX4TRPV1
SCHEMBL4817890 0.78 TRPM8 (0.73) TRPM8EPHX1P2RX4HPGDKCNA5
SCHEMBL10073491 0.78 TRPM8 (0.73) TRPM8EPHX1P2RX4HPGDKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T 2007-03-08 US disclosed
US-7169377-B2 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T 2007-01-30 US disclosed
WO-2005039649-A1 RADIOLIGANDS FOR THE TRP-M8 RECEPTOR AND METHODS THEREWITH PAGET, HUGH, C., E. (GB) 2005-05-06 WO disclosed
US-20050084447-A1 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T (US) 2005-04-21 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 (2 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-20050084447-A1 Radioligands for the TRP-M8 receptor and methods therewith TRPM8, GPR68, OPRL1 TRPM8 1/4885EPHX1 4381/4885P2RX4 266/4885
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith GPR68, TRPM8, OPRL1 TRPM8 2/4885EPHX1 4778/4885P2RX4 355/4885

“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.