SCHEMBL4110744

SCHEMBL4110744

Fc1cccc(C(Cc2ccc3cccnc3c2)C2CNCC[N]2)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.34
REN P00797 2/20 0.34
SLC6A4 P31645 6/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A3 Q01959 4/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
HTR6 P50406 2/20 0.31
MAOB P27338 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
TP53 P04637 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4110906 0.86 CHKA (0.35) CHKARENSLC6A4SLC6A2SLC6A3
SCHEMBL4109317 0.84 CYP1A2 (0.40) CHKARENSLC6A4SLC6A2SLC6A3
SCHEMBL4107635 0.84 NR4A2 (0.40) CHKARENSLC6A4SLC6A2SLC6A3
SCHEMBL4118551 0.83 CHKA (0.36) CHKARENSLC6A4SLC6A2SLC6A3
SCHEMBL4111663 0.83 SLC6A4 (0.37) RENSLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL4106037 0.74 MEN1 (0.36) RENSLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL4114006 0.70 HTR2A (0.38) RENSLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL4016067 0.69 HTR6 (0.39) SLC6A4SLC6A2SLC6A3HTR2CHTR6
SCHEMBL4111893 0.68 KMT2A (0.36) RENSLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL4104053 0.68 HTT (0.36) SLC6A4CYP3A4CYP1A2HTR2CTP53

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CHKA 1882/4885REN 788/4885SLC6A4 691/4885

“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.