SCHEMBL4015440

SCHEMBL4015440

CC(c1ccc(F)cc1)C1CNCC[N]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2B P41595 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR7 P34969 1/20 0.33
DAO P14920 1/20 0.32

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
SCHEMBL4023684 0.84 SLC6A4 (0.44) HTR2CSLC6A4HTR2BCYP2D6SLC6A2
SCHEMBL4017117 0.84 HTR2C (0.33) HTR2AHTR2CHTR2B
SCHEMBL9291204 0.84 MAOA (0.36) SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL4016067 0.82 HTR6 (0.39) HTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL4021110 0.80 HTR2A (0.35) HTR2AHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL4023118 0.76 SLC6A2 (0.36) SLC6A4CYP2D6SLC6A2SLC6A3KCNH2
SCHEMBL28260142 0.72 SLC6A2 (0.47) SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL28260140 0.72 SLC6A2 (0.47) SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL6447627 0.71 SLC6A4 (0.43) HTR2AHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL5817755 0.70 NISCH (0.35) SLC6A4CYP2D6SLC6A2SLC6A3

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-8227469-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2012-07-24 US disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 US disclosed
US-7534798-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-05-19 US disclosed
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-18 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-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 CYP17A1 3486/4885HTR2A 84/4885HTR2C 158/4885
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CYP17A1 3486/4885HTR2A 84/4885HTR2C 158/4885

“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.