SCHEMBL3544727

SCHEMBL3544727

CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC5(CC4)OCCO5)cc3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
HRH4 Q9H3N8 3/20 0.54
HRH3 Q9Y5N1 7/20 0.53
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
POLB P06746 1/20 0.47
GPR183 P32249 2/20 0.46
SYK P43405 1/20 0.45
CHRNA7 P36544 1/20 0.45

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 0.88 HRH3 (0.67) KMT2AHRH4HRH3ACACBACACA
SCHEMBL3542031 0.86 HRH3 (0.68) HRH4HRH3POLBCHRNA7
SCHEMBL3537499 0.85 HRH3 (0.64) HRH4HRH3SYKCHRNA7
SCHEMBL4384728 0.84 HRH4 (0.59) KMT2AHRH4HRH3SYK
SCHEMBL3538745 0.84 HRH3 (0.66) HRH4HRH3SYKCHRNA7
SCHEMBL3539676 0.84 HRH3 (0.66) HRH4HRH3SYKCHRNA7
SCHEMBL3536018 0.84 HRH3 (0.63) HRH4HRH3ACACBACACAGPR183
SCHEMBL3160488 0.83 HRH4 (0.58) HRH4HRH3SYK
SCHEMBL3165702 0.83 HRH4 (0.58) HRH4HRH3SYK
SCHEMBL3536829 0.83 HRH3 (0.64) HRH4HRH3POLBSYKCHRNA7

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 4 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
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 KMT2A 512/4885HRH4 1/4885HRH3 2/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 KMT2A 512/4885HRH4 1/4885HRH3 2/4885

“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.