SCHEMBL4261607

SCHEMBL4261607

CCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3F)C[C@H]2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.58
GRM1 Q13255 1/20 0.52
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
LIMK2 P53671 1/20 0.45

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
SCHEMBL4266109 0.91 TRPV1 (0.62) TRPV1GRM1
SCHEMBL14423779 0.90 TRPV1 (0.60) TRPV1GRM1
SCHEMBL13911578 0.89 TRPV1 (0.56) TRPV1ALDH1A1LMNAPOLBHPGD
SCHEMBL4274091 0.87 TRPV1 (0.63) TRPV1GRM1LIMK2
SCHEMBL4270043 0.83 TRPV1 (0.82) TRPV1GRM1
SCHEMBL4270089 0.83 TRPV1 (0.70) TRPV1GRM1
SCHEMBL4266830 0.81 TRPV1 (0.60) TRPV1GRM1LIMK2
SCHEMBL4260393 0.81 TRPV1 (0.59) TRPV1GRM1LIMK2
SCHEMBL4266881 0.80 TRPV1 (0.60) TRPV1
SCHEMBL4258931 0.80 TRPV1 (0.60) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176443-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2004-09-09 US claimed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 US claimed
EP-1301484-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-04-16 EP claimed
US-20020132853-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2002-09-19 US claimed
WO-2002008221-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-31 WO claimed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
EP-2033951-A2 2-Piperazine-pyridines useful for treating pain EURO-CELTIQUE S.A. (LU) 2009-03-11 EP disclosed
US-7256193-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-08-14 US disclosed
US-7256193-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-08-14 US disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO disclosed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 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 (4 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-20040176443-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPV1 1/4885GRM1 832/4885ALDH1A1 1103/4885
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 TRPV1 1/4885GRM1 978/4885ALDH1A1 1282/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885GRM1 9/4885ALDH1A1 606/4885
US-20020132853-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPV1 1/4885GRM1 832/4885ALDH1A1 1103/4885

“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.