SCHEMBL4264128

SCHEMBL4264128

C[C@@H]1CN(c2nccnc2Cl)CCN1C(=O)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.52
IDH1 O75874 3/20 0.49
KIT P10721 6/20 0.48
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LIMK2 P53671 2/20 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
SCHEMBL4265030 0.99 TRPV1 (0.52) TRPV1IDH1KITLIMK2
SCHEMBL4260301 0.89 TRPV1 (0.57) TRPV1USP2ALOX15SMN1; SMN2HSD17B10
SCHEMBL4260976 0.88 TRPV1 (0.58) TRPV1USP2ALOX15SMN1; SMN2HSD17B10
SCHEMBL4260393 0.85 TRPV1 (0.59) TRPV1IDH1KITUSP2ALOX15
SCHEMBL4260038 0.84 TRPV1 (0.55) TRPV1KITLIMK2
SCHEMBL4266830 0.84 TRPV1 (0.60) TRPV1IDH1KITUSP2ALOX15
SCHEMBL4265364 0.83 TRPV1 (0.55) TRPV1IDH1KITUSP2ALOX15
SCHEMBL4265041 0.83 TRPV1 (0.51) TRPV1IDH1KITUSP2ALOX15
SCHEMBL4264034 0.83 TRPV1 (0.68) TRPV1KITLIMK2
SCHEMBL4262872 0.83 TRPV1 (0.77) 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 10 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
CN-1443170-A Capsaicin receptor ligands NEUROGEN CORP (US) 2003-09-17 CN 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-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 (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-20040176443-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPV1 1/4885IDH1 3921/4885KIT 300/4885
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 TRPV1 1/4885IDH1 4139/4885KIT 485/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885IDH1 4866/4885KIT 2537/4885

“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.