SCHEMBL2528558

SCHEMBL2528558

Brc1ccc2c(c1)nc(N1CCNCC1)c1nccn12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.58
HTR3E A5X5Y0 3/20 0.55
HTR3B O95264 3/20 0.55
HTR3A P46098 3/20 0.55
HTR3D Q70Z44 3/20 0.55
HTR3C Q8WXA8 3/20 0.55
HTR2C P28335 3/20 0.52
HTR1A P08908 1/20 0.52
HTT P42858 1/20 0.47
HTR1D P28221 1/20 0.46
NCF1 P14598 1/20 0.44

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
SCHEMBL2530327 0.90 HRH4 (0.55) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL405158 0.85 HTR3E (0.58) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL2469238 0.85 HTR3E (0.74) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL13334755 0.82 HTR2C (0.69) HRH4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL442199 0.81 HTR2C (0.67) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL405919 0.81 HRH4 (0.66) HRH4
SCHEMBL406104 0.80 HRH4 (0.57) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL2464525 0.80 HTT (0.46) HRH4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL438696 0.80 HRH4 (0.65) HRH4
SCHEMBL406113 0.78 IKBKB (0.55) HRH4HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO 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 (1 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3E 71/4885HTR3B 113/4885

“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.