SCHEMBL4152450

SCHEMBL4152450

COc1ncccc1-c1ccc2c(c1)CCC(N1CCCC1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP2B6 P20813 1/20 0.40
DHFR P00374 1/20 0.40
GPR84 Q9NQS5 2/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
NAAA Q02083 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL4136905 0.83 HTR7 (0.44) HTR1AHTR7HRH3PDCD1CD274
SCHEMBL5319427 0.81 USP30 (0.41) USP30DHFRGPR84LOXL2NAAA
SCHEMBL4136665 0.78 HTR1A (0.46) HTR1AHTR7PDCD1CD274
SCHEMBL4136395 0.78 HTR2C (0.54) CYP1A2CYP11B1CYP11B2DHFRHTR1A
SCHEMBL4133564 0.78 HTR1A (0.48) HTR1AHTR7HRH3
SCHEMBL4135443 0.77 ALDH1A1 (0.47) CYP11B2HRH3
SCHEMBL4141014 0.77 ALDH1A1 (0.47) CYP11B2HRH3
SCHEMBL4135445 0.77 ALDH1A1 (0.47) CYP11B2HRH3
SCHEMBL4140498 0.76 HRH3 (0.49) USP30CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL4143276 0.76 CYP11B2 (0.42) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 USP30 3191/4885CYP1A2 1220/4885CYP3A4 1672/4885

“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.