SCHEMBL2949495

SCHEMBL2949495

O=C(O)c1cc2cc(NC3CCN(CC4CC4)CC3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.50
▸ SYK P43405 5/20 0.49
▸ F11 P03951 1/20 0.45
▸ ROCK2 O75116 4/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ CCR2 P41597 1/20 0.43
▸ SMAD3 P84022 1/20 0.42
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL2943625 0.88 HRH3 (0.53) HRH3SYKROCK2ROCK1CCR2
SCHEMBL2951278 0.86 MMP13 (0.56) HRH3SYKKDM4EALDH1A1LMNA
SCHEMBL2950025 0.85 HRH3 (0.72) HRH3SYK
SCHEMBL2946146 0.83 HRH3 (0.57) HRH3SYKMEN1KMT2A
SCHEMBL2950369 0.83 HRH3 (0.53) HRH3SYKROCK2SMAD3F7
SCHEMBL2950114 0.81 HRH3 (0.73) HRH3SYKROCK2SMAD3PIN1
SCHEMBL2952598 0.81 HRH3 (0.53) HRH3SYKF11ROCK2SMAD3
SCHEMBL2949966 0.81 HRH3 (0.51) HRH3SYKROCK2SMAD3F7
SCHEMBL2951314 0.77 HRH3 (0.64) HRH3SYKROCK2SMAD3F7
SCHEMBL18361283 0.76 LTA4H (0.58) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885SYK 3145/4885F11 3522/4885
US-20060160855-A1 5-Aminoindole derivatives as H3 inverse agonists HRH3, HTR5A, HRH4 HRH3 1/4885SYK 3145/4885F11 3522/4885

“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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