SCHEMBL405326

SCHEMBL405326

Cc1ccc2nc(N3CCNCC3)c3nn(C)cc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
ADRB2 P07550 2/20 0.48
ADRA2A P08913 1/20 0.48
HTR2C P28335 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
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 1/20 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
SCHEMBL405909 0.88 HRH4 (0.57) ADRB2HRH4HRH3TSHRHTR3E
SCHEMBL406391 0.87 HRH4 (0.51) HTR6ADRB2HRH4HRH3NCF1
SCHEMBL406426 0.87 HTT (0.52) HTR6ADRB2ADRA2AHRH4HRH3
SCHEMBL462601 0.84 HTR2C (0.47) HTR6ADRB2ADRA2AHTR2CAXL
Hydrochloric Acid SCHEMBL440044 0.83 HTR2C (0.47) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL406372 0.78 HTR6 (0.51) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL406760 0.76 HTR6 (0.48) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL405892 0.74 HTR6 (0.49) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL405470 0.74 HTT (0.54) HTR6HRH4HRH3HTR3EHTR3B
SCHEMBL405258 0.74 HRH4 (0.65) HRH4HRH3HTR3A

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 571/4885ADRA2A 684/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR6 111/4885ADRB2 571/4885ADRA2A 684/4885

“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.