SCHEMBL2952598

SCHEMBL2952598

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.53
▸ PIN1 Q13526 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ROCK2 O75116 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ SMAD3 P84022 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2949503 0.85 MMP13 (0.57) HRH3MEN1KMT2AKDM4EHPGD
SCHEMBL2950114 0.84 HRH3 (0.73) HRH3PIN1MEN1KMT2AROCK2
SCHEMBL2943625 0.84 HRH3 (0.53) HRH3PIN1MEN1KMT2AROCK2
SCHEMBL2950369 0.84 HRH3 (0.53) HRH3PIN1MEN1KMT2AROCK2
SCHEMBL2943968 0.83 HRH3 (0.60) HRH3MEN1KMT2A
SCHEMBL2949966 0.82 HRH3 (0.51) HRH3PIN1MEN1KMT2AROCK2
SCHEMBL2949495 0.81 HRH3 (0.50) HRH3PIN1MEN1KMT2AROCK2
SCHEMBL2951314 0.80 HRH3 (0.64) HRH3PIN1MEN1KMT2AROCK2
SCHEMBL28079180 0.76 SMAD3 (0.47) HRH3PIN1MEN1KMT2ASMAD3
SCHEMBL16219509 0.75 LTA4H (0.50) ALDH1A1TDP1MAPT

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 1/4885PIN1 4372/4885MEN1 1912/4885
US-20060160855-A1 5-Aminoindole derivatives as H3 inverse agonists HRH3, HTR5A, HRH4 HRH3 1/4885PIN1 4372/4885MEN1 1912/4885

“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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