SCHEMBL4107635

SCHEMBL4107635

Clc1ccc(C(Cc2ccc3cccnc3c2)C2CNCC[N]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
CHKA P35790 1/20 0.35
REN P00797 2/20 0.35
HTR6 P50406 3/20 0.33
HTR7 P34969 2/20 0.33
DRD2 P14416 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
OGA O60502 2/20 0.31
PDE2A O00408 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL4109317 0.90 CYP1A2 (0.40) NR4A2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL4110744 0.84 CHKA (0.34) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL4118551 0.81 CHKA (0.36) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL4110906 0.80 CHKA (0.35) SLC6A2SLC6A4SLC6A3CHKAREN
SCHEMBL4111893 0.80 KMT2A (0.36) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL4106037 0.69 MEN1 (0.36) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL4104053 0.69 HTT (0.36) SLC6A4CYP3A4HTR2ATP53
SCHEMBL10475762 0.68 NR4A2 (0.43) NR4A2CHKAHTR6HTR7DRD2
SCHEMBL28089680 0.67 NR4A2 (0.66) NR4A2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL4111663 0.67 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4REN

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 NR4A2 502/4885SLC6A2 910/4885SLC6A4 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.