SCHEMBL4139527

SCHEMBL4139527

CC1CCCN1C1CCc2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
CTSD P07339 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MCHR1 Q99705 3/20 0.35
S1PR1 P21453 1/20 0.35
ASIC3 Q9UHC3 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
RORC P51449 1/20 0.34
KCNH2 Q12809 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL4140818 0.88 MCHR1 (0.39) HTR2AHTR2CMCHR1S1PR1ASIC3
SCHEMBL4139561 0.87 MCHR1 (0.40) HTR2AHTR2CHTR2BCTSDMCHR1
SCHEMBL4130668 0.84 ASIC3 (0.46) HTR2AHTR2CHTR2BCTSDCYP11B1
SCHEMBL4140086 0.84 KCNH2 (0.37) HTR2AHTR2CHTR2BCTSDMCHR1
SCHEMBL4136956 0.79 HRH3 (0.38) CYP11B1CYP11B2MCHR1ASIC3KCNH2
SCHEMBL4130994 0.79 HRH3 (0.41) HTR2AMCHR1KCNH2
SCHEMBL4136315 0.78 HRH3 (0.39) HTR2CHTR2BMCHR1KCNH2
SCHEMBL4766770 0.78 S1PR1 (0.45) HTR2AHTR2CS1PR1
SCHEMBL4127329 0.78 HTR1A (0.42) HTR2AHTR2CCYP11B1CYP11B2MCHR1
SCHEMBL4148990 0.77 HRH3 (0.36) HTR2AHTR2CCYP11B1CYP11B2MCHR1

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 HTR2A 26/4885HTR2C 9/4885HTR2B 14/4885

“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.