SCHEMBL4021112

SCHEMBL4021112

Fc1ccc(CCC2CNCC[N]2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.41
HTR2C P28335 10/20 0.41
DAO P14920 1/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR6 P50406 1/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4023123 0.83 TAAR1 (0.40) HTR2AHTR2CDAOSLC6A2SLC6A4
SCHEMBL4015441 0.80 KCNH2 (0.36) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4016068 0.78 MAPK1 (0.43) DAOSLC6A4SLC6A3
SCHEMBL5558234 0.74 HTR2A (0.40) HTR2AHTR2CDAOSLC6A2SLC6A4
SCHEMBL5558242 0.74 HTR2A (0.40) HTR2AHTR2CDAOSLC6A2SLC6A4
SCHEMBL4436017 0.70 TAAR1 (0.44)
SCHEMBL7492333 0.70 SLC6A4 (0.48) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL4374233 0.69 CHRNB2 (0.40) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7984039 0.69 SLC6A4 (0.47) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL4017121 0.68 HTR1D (0.37) HTR2A

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 HTR2A 84/4885HTR2C 158/4885DAO 1757/4885
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HTR2A 84/4885HTR2C 158/4885DAO 1757/4885

“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.