SCHEMBL2943625

SCHEMBL2943625

CCN1CCC(Nc2ccc3[nH]c(C(=O)O)cc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.53
▸ HRH4 Q9H3N8 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 3/20 0.46
▸ FGFR1 P11362 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ FLT1 P17948 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ SYK P43405 2/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ ROCK2 O75116 3/20 0.44
▸ CCR2 P41597 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMAD3 P84022 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43

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
SCHEMBL2949495 0.88 HRH3 (0.50) HRH3KDM4ECYP3A4SYKPIN1
SCHEMBL2944272 0.87 MMP13 (0.59) HRH3KDM4EMEN1KMT2A
SCHEMBL2943044 0.86 HRH3 (0.61) HRH3HRH4SYKMEN1KMT2A
SCHEMBL2950101 0.84 HRH3 (0.76) HRH3HRH4SYK
SCHEMBL2952598 0.84 HRH3 (0.53) HRH3KDM4ECYP3A4SYKPIN1
SCHEMBL2950114 0.84 HRH3 (0.73) HRH3CYP3A4SYKPIN1ROCK2
SCHEMBL2950369 0.84 HRH3 (0.53) HRH3KDM4ECYP3A4SYKPIN1
SCHEMBL2949966 0.82 HRH3 (0.51) HRH3HRH4KDM4ECYP3A4SYK
SCHEMBL15642686 0.80 PIN1 (0.48) HRH3HRH4KDM4EPIN1MEN1
SCHEMBL2951314 0.80 HRH3 (0.64) HRH3KDM4ECYP3A4SYKPIN1

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 1/4885HRH4 3/4885KDM4E 709/4885
US-20060160855-A1 5-Aminoindole derivatives as H3 inverse agonists HRH3, HTR5A, HRH4 HRH3 1/4885HRH4 3/4885KDM4E 709/4885

“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.

Send feedback