SCHEMBL2952638

SCHEMBL2952638

CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N(C)C(C)C)cc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.67
▸ ROCK2 O75116 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SYK P43405 3/20 0.42
▸ VCP P55072 2/20 0.40

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
SCHEMBL2951205 0.88 HRH3 (0.67) HRH3ROCK2CYP3A4MEN1KMT2A
SCHEMBL2950114 0.86 HRH3 (0.73) HRH3ROCK2CYP3A4MEN1KMT2A
SCHEMBL3844454 0.83 HRH3 (0.56) HRH3ROCK2CYP3A4VCP
SCHEMBL2952603 0.82 HRH3 (0.83) HRH3MEN1KMT2ASYK
SCHEMBL2951314 0.82 HRH3 (0.64) HRH3ROCK2CYP3A4MEN1KMT2A
SCHEMBL2947010 0.82 HRH3 (0.82) HRH3MEN1KMT2ASYK
SCHEMBL2943709 0.81 HRH3 (0.66) HRH3MEN1KMT2A
SCHEMBL2952637 0.81 HRH3 (0.66) HRH3ROCK2CYP3A4MEN1KMT2A
SCHEMBL1379104 0.80 HRH3 (0.68) HRH3
SCHEMBL2947472 0.80 HRH3 (1.00) HRH3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841734-B1 5-AMINOINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-29 — — EP claimed
US-20090069311-A1 5-AMINOINDOLE DERIVATIVES AS H3 INVERSE AGONISTS NETTEKOVEN MATTHIAS HEINRICH 2009-03-12 — — US claimed
EP-1841734-A2 5-AMINOINDOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-10 — — EP claimed
WO-2006077024-A2 5-AMINOINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 — — WO claimed
US-20060160855-A1 5-Aminoindole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. 2006-07-20 — — US claimed
US-7754736-B2 5-aminoindole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 — — US disclosed
EP-1841734-B1 5-AMINOINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-29 — — EP disclosed
US-20090069311-A1 5-AMINOINDOLE DERIVATIVES AS H3 INVERSE AGONISTS NETTEKOVEN MATTHIAS HEINRICH 2009-03-12 — — US disclosed
US-7456174-B2 5-aminoindole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-11-25 — — US disclosed
EP-1841734-A2 5-AMINOINDOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-10 — — EP disclosed
WO-2006077024-A2 5-AMINOINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 — — WO disclosed
US-20060160855-A1 5-Aminoindole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. 2006-07-20 — — 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-20090069311-A1 5-AMINOINDOLE DERIVATIVES AS H3 INVERSE AGONISTS HRH3, HTR5A, HRH4 HRH3 1/4885ROCK2 1560/4885CYP3A4 824/4885
US-20060160855-A1 5-Aminoindole derivatives as H3 inverse agonists HRH3, HTR5A, HRH4 HRH3 1/4885ROCK2 1560/4885CYP3A4 824/4885

“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.

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