SCHEMBL4140986

SCHEMBL4140986

CC(C)OC(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 1/20 0.36
HRH3 Q9Y5N1 12/20 0.35
KCNH2 Q12809 5/20 0.35
HTR1A P08908 4/20 0.35
SLC6A4 P31645 4/20 0.35
HRH1 P35367 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ADRB3 P13945 1/20 0.35
SRD5A1 P18405 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
SCHEMBL4149013 0.86 DRD3 (0.44) ALDH1A1MEN1KMT2AHRH3KCNH2
SCHEMBL4143078 0.84 PDE4A (0.41) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4152815 0.82 GRIN2D (0.36) ALDH1A1HRH3KCNH2
SCHEMBL4142054 0.82 HRH3 (0.49) ALDH1A1KMT2AMCHR1HRH3HTR1A
SCHEMBL4128761 0.81 HRH3 (0.38) MCHR1HRH3KCNH2ADRB3
SCHEMBL4136847 0.81 HRH3 (0.39) HRH3KCNH2HTR1A
SCHEMBL4142343 0.79 HRH3 (0.40) HRH3KCNH2
SCHEMBL4140206 0.79 HRH3 (0.40) ALDH1A1TSHRKMT2AMCHR1HRH3
SCHEMBL4142137 0.79 HRH3 (0.35) ALDH1A1MCHR1HRH3KCNH2ADRB3
SCHEMBL4140221 0.79 MCHR1 (0.38) MCHR1HRH3KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 PDCD1 3217/4885CD274 2909/4885ALDH1A1 1667/4885

“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.