SCHEMBL405578

SCHEMBL405578

CB(O)N1CCN(c2nc3ccccc3nc2Cl)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.66
HTR3B O95264 2/20 0.66
HTR3A P46098 2/20 0.66
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL14513387 0.84 HRH4 (0.83) HRH4HTR3BHTR3AMAPTKDM4E
SCHEMBL406092 0.80 HRH4 (0.42) HRH4HTR3BHTR3AMAPTKDM4E
SCHEMBL404203 0.80 HRH4 (1.00) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL405647 0.79 HRH4 (0.41) HRH4HTR3BHTR3AMAPTKDM4E
Hydrochloric Acid SCHEMBL29694104 0.78 HRH4 (0.97) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL406619 0.78 HRH4 (0.40) HRH4HTR3BHTR3AMAPT
SCHEMBL405677 0.78 HRH4 (0.40) HRH4HTR3BHTR3AMAPT
SCHEMBL24970254 0.76 HRH4 (0.69) HRH4HTR3BHTR3AMAPTCYP1A2
SCHEMBL30903350 0.76 HRH4 (0.69) HRH4HTR3BHTR3AMAPTCYP1A2
Hydrochloric Acid SCHEMBL30903331 0.75 HRH4 (0.68) HRH4HTR3BHTR3AMAPTTSHR

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 3 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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 113/4885HTR3A 153/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 113/4885HTR3A 153/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 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.