SCHEMBL405322

SCHEMBL405322

Cc1ccc2c(c1)nc(N1CCNCC1)c1nocc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
HTR6 P50406 2/20 0.43
HRH1 P35367 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRA2A P08913 1/20 0.43
HTR2C P28335 1/20 0.43
AXL P30530 1/20 0.43
HTR2B P41595 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
HRH4 Q9H3N8 5/20 0.41
HRH3 Q9Y5N1 4/20 0.40
KCNH2 Q12809 3/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL406372 0.90 HTR6 (0.51) TAAR1HTR6HRH1ADRB2ADRA2A
SCHEMBL406792 0.86 HRH4 (0.56) HRH1ADRB2HRH4HRH3
SCHEMBL406423 0.85 HTT (0.47) TAAR1HTR6HRH1HRH4HRH3
SCHEMBL405850 0.85 ADRB2 (0.47) HTR6ADRB2HRH4HRH3KCNH2
SCHEMBL439038 0.82 HTR2C (0.51) HTR6HRH1ADRB2ADRA2AHTR2C
SCHEMBL405394 0.80 KCNH2 (0.37) TAAR1HTR6HRH4HRH3KCNH2
SCHEMBL405357 0.78 HTT (0.53) HTR6HRH1ADRB2ADRA2AHTR2C
SCHEMBL405126 0.78 KDM4E (0.48) HTR6ADRB2HRH4HIF1AHTR1A
SCHEMBL406369 0.77 HRH4 (0.56) ADRB2HRH4HRH3
SCHEMBL12224699 0.76 FABP4 (0.38) TAAR1HRH4CYP1A2CYP3A4MEN1

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 TAAR1 45/4885HTR6 111/4885HRH1 4/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TAAR1 45/4885HTR6 111/4885HRH1 4/4885

“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.