SCHEMBL4266830

SCHEMBL4266830

C[C@@H]1CN(c2ncccc2F)CCN1C(=O)Nc1ccc(C2CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.60
GRM1 Q13255 1/20 0.56
IDH1 O75874 3/20 0.48
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LIMK2 P53671 2/20 0.46
ROCK2 O75116 1/20 0.45
LIMK1 P53667 1/20 0.45
ROCK1 Q13464 1/20 0.45
RBP4 P02753 1/20 0.45
KIT P10721 2/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL4260393 0.99 TRPV1 (0.59) TRPV1GRM1IDH1USP2ALOX15
SCHEMBL4260976 0.89 TRPV1 (0.58) TRPV1USP2ALOX15SMN1; SMN2HSD17B10
SCHEMBL4266663 0.88 TRPV1 (0.78) TRPV1RBP4
SCHEMBL4260301 0.88 TRPV1 (0.57) TRPV1USP2ALOX15SMN1; SMN2HSD17B10
SCHEMBL4262872 0.87 TRPV1 (0.77) TRPV1RBP4
SCHEMBL4265364 0.86 TRPV1 (0.55) TRPV1IDH1USP2ALOX15SMN1; SMN2
SCHEMBL4270089 0.85 TRPV1 (0.70) TRPV1GRM1RBP4
SCHEMBL4270043 0.85 TRPV1 (0.82) TRPV1GRM1RBP4KIT
SCHEMBL4266109 0.85 TRPV1 (0.62) TRPV1GRM1RBP4KIT
SCHEMBL4265030 0.85 TRPV1 (0.52) TRPV1IDH1LIMK2KIT

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 832/4885IDH1 3921/4885
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 TRPV1 1/4885GRM1 978/4885IDH1 4139/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885GRM1 9/4885IDH1 4866/4885
US-20020132853-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPV1 1/4885GRM1 832/4885IDH1 3921/4885

“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.