SCHEMBL4136679

SCHEMBL4136679

COc1ccc(-c2ccc3c(c2)CCC(N2CCCCC2)C3)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.51
KCNH2 Q12809 3/20 0.51
CYP1A2 P05177 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
USP30 Q70CQ3 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
SCD O00767 1/20 0.39
PIK3CD O00329 1/20 0.39
OTUD7B Q6GQQ9 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL4140498 0.99 HRH3 (0.49) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4128876 0.89 HRH3 (0.43) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4144743 0.89 PIK3CA (0.42) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4294921 0.87 USP30 (0.41) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4139699 0.87 PIK3CA (0.41) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4136673 0.84 USP30 (0.40) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4149135 0.81 GRIN2B (0.48) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4144552 0.81 BRD9 (0.40) HRH3KCNH2
SCHEMBL4139671 0.81 USP30 (0.39) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4135445 0.81 ALDH1A1 (0.47) HRH3CYP11B2

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 HRH3 1/4885KCNH2 657/4885CYP1A2 1220/4885

“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.