SCHEMBL405892

SCHEMBL405892

Cc1ccc2nc(N3CCNCC3)c3[nH]ncc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.49
HTR2B P41595 4/20 0.49
ADRB2 P07550 2/20 0.49
HTR2C P28335 2/20 0.49
ADRA2A P08913 1/20 0.49
AXL P30530 1/20 0.49
HRH1 P35367 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
HTR1A P08908 4/20 0.43
HTR7 P34969 4/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 2/20 0.43
HTR5A P47898 1/20 0.43
NPY5R Q15761 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL440840 0.82 HTR2C (0.49) HTR6HTR2BADRB2HTR2CADRA2A
SCHEMBL405326 0.74 HTR6 (0.48) HTR6HTR2BADRB2HTR2CADRA2A
SCHEMBL406372 0.74 HTR6 (0.51) HTR6HTR2BADRB2HTR2CADRA2A
SCHEMBL406760 0.72 HTR6 (0.48) HTR6HTR2BADRB2HTR2CADRA2A
SCHEMBL3680498 0.70 HTR6 (0.66) HTR6HTR2BADRB2HTR2CADRA2A
SCHEMBL2918443 0.70 HTT (0.70) HTR2CCYP1A2CYP3A4CLK4CYP2D6
SCHEMBL24969917 0.69 KDM4E (0.47) HTR6HTR2BADRB2HTR2CADRA2A
SCHEMBL31142888 0.69 KDM4E (0.47) HTR6HTR2BADRB2HTR2CADRA2A
SCHEMBL22860164 0.69 ADRB1 (0.45) HTR6HTR2BADRB2HTR2CADRA2A
Hydrochloric Acid SCHEMBL30223043 0.69 KDM4E (0.46) HTR6HTR2BADRB2HTR2CADRA2A

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 111/4885HTR2B 97/4885ADRB2 571/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR6 111/4885HTR2B 97/4885ADRB2 571/4885

“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.