SCHEMBL4017121

SCHEMBL4017121

Brc1ccc(CCC2CNCC[N]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.37
TAAR1 Q96RJ0 3/20 0.35
HTR2A P28223 1/20 0.35
REN P00797 1/20 0.33
HMOX1 P09601 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
SCHEMBL4015441 0.84 KCNH2 (0.36) TAAR1
SCHEMBL4023686 0.84 HTR3A (0.37) TAAR1
SCHEMBL4436017 0.84 TAAR1 (0.44) TAAR1
SCHEMBL9111411 0.74 CYP19A1 (0.43) TAAR1
SCHEMBL4016068 0.74 MAPK1 (0.43) TAAR1
SCHEMBL5449844 0.72 TACR1 (0.42)
SCHEMBL1461425 0.70 ALDH1A1 (0.36)
SCHEMBL4023123 0.70 TAAR1 (0.40) TAAR1HTR2A
SCHEMBL10520604 0.68 TAAR1 (0.39) TAAR1HTR2A
SCHEMBL20015576 0.68 HRH3 (0.44) TAAR1HTR2A

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 HTR1D 257/4885TAAR1 474/4885HTR2A 84/4885
US-20050182067-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HTR1D 257/4885TAAR1 474/4885HTR2A 84/4885

“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.