SCHEMBL405158

SCHEMBL405158

Cc1ccc2c(c1)nc(N1CCNCC1)c1nccn12

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.58
HTR3B O95264 4/20 0.58
HTR3A P46098 4/20 0.58
HTR3D Q70Z44 4/20 0.58
HTR3C Q8WXA8 4/20 0.58
HRH4 Q9H3N8 1/20 0.58
HTR2C P28335 2/20 0.52
HTR1A P08908 1/20 0.52
HTR1D P28221 1/20 0.46

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
SCHEMBL406113 0.90 IKBKB (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2528558 0.85 HRH4 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13334755 0.82 HTR2C (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL442199 0.81 HTR2C (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL406616 0.81 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL405189 0.81 HRH4 (0.62) HRH4
SCHEMBL406104 0.80 HRH4 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8564626 0.80 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL405669 0.78 HRH4 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2530327 0.78 HRH4 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 71/4885HTR3B 113/4885HTR3A 153/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR3E 71/4885HTR3B 113/4885HTR3A 153/4885

“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.