SCHEMBL4023686

SCHEMBL4023686

Clc1ccc(CCC2CNCC[N]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.37
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4017121 0.84 HTR1D (0.37) TAAR1
SCHEMBL4015441 0.84 KCNH2 (0.36) SLC6A4TAAR1
SCHEMBL7805384 0.84 HTR3A (0.39) HTR3ASLC6A4
SCHEMBL4436017 0.84 TAAR1 (0.44) TAAR1
SCHEMBL4161319 0.80 MLNR (0.36) HTR3A
SCHEMBL9111411 0.74 CYP19A1 (0.43) TAAR1
SCHEMBL4016068 0.74 MAPK1 (0.43) SLC6A4TAAR1
SCHEMBL5449844 0.72 TACR1 (0.42)
SCHEMBL5563651 0.71 LTA4H (0.41) HTR3ATAAR1
SCHEMBL3441527 0.71 TAAR1 (0.37) HTR2CSLC6A4HTR2BTAAR1ALDH1A1

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 HTR3A 135/4885HTR2C 158/4885SLC6A4 691/4885
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HTR3A 135/4885HTR2C 158/4885SLC6A4 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.