SCHEMBL3536018

SCHEMBL3536018

CC(C)N1CCCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.63
HRH4 Q9H3N8 5/20 0.52
SYK P43405 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GPR183 P32249 2/20 0.48
CHRNA7 P36544 2/20 0.47
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47

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
SCHEMBL3536792 0.96 HRH3 (0.67) HRH3HRH4GPR183ACACBACACA
SCHEMBL3537499 0.90 HRH3 (0.64) HRH3HRH4SYKNPC1RAB9A
SCHEMBL3539676 0.88 HRH3 (0.66) HRH3HRH4SYKNPC1RAB9A
SCHEMBL3538745 0.88 HRH3 (0.66) HRH3HRH4SYKNPC1RAB9A
SCHEMBL3169664 0.88 HRH3 (0.55) HRH3HRH4SYKNPC1RAB9A
SCHEMBL3536829 0.87 HRH3 (0.64) HRH3HRH4SYKNPC1RAB9A
SCHEMBL3536467 0.86 HRH3 (0.63) HRH3HRH4SYKNPC1RAB9A
SCHEMBL3159808 0.85 HRH3 (0.62) HRH3HRH4SYKNPC1RAB9A
SCHEMBL3166003 0.85 HRH3 (0.52) HRH3HRH4SYKNPC1RAB9A
SCHEMBL3175924 0.84 KMT2A (0.64) HRH3HRH4SYKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 HRH3 2/4885HRH4 1/4885SYK 2975/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885HRH4 1/4885SYK 2975/4885

“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.