SCHEMBL406760

SCHEMBL406760

Cc1ccc2nc(N3CCNCC3)c3nc(C)oc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
ADRB2 P07550 2/20 0.48
HTR2C P28335 2/20 0.48
ADRA2A P08913 1/20 0.48
AXL P30530 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ELANE P08246 1/20 0.42
HRH4 Q9H3N8 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ADRB1 P08588 2/20 0.40
NCF1 P14598 2/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL406388 0.88 HRH4 (0.51) HTR6ADRB2HRH4NCF1CYP2D6
SCHEMBL12224825 0.88 HTT (0.51) HTR6ADRB2HTR2CADRA2AHRH4
SCHEMBL406338 0.86 HRH4 (0.56) ADRB2ELANEHRH4TSHRHTR3E
SCHEMBL438081 0.85 HRH4 (0.53) HTR6ADRB2HTR2CADRA2AAXL
SCHEMBL406370 0.83 TAAR1 (0.40) HTR6HTR2CHRH4TAAR1
SCHEMBL405318 0.79 HRH4 (0.40) HTR2CHRH4TAAR1
SCHEMBL12224865 0.79 TAAR1 (0.38) HTR6HTR2CHRH4TAAR1
SCHEMBL406372 0.78 HTR6 (0.51) HTR6ADRB2HTR2CADRA2AAXL
SCHEMBL405326 0.76 HTR6 (0.48) HTR6ADRB2HTR2CADRA2AAXL
SCHEMBL405199 0.75 HRH4 (0.56) HRH4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR6 111/4885ADRB2 571/4885HTR2C 145/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR6 111/4885ADRB2 571/4885HTR2C 145/4885

“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.