SCHEMBL405677

SCHEMBL405677

CB(O)N1CCN(c2nc3cc(Cl)cc(F)c3nc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.33
MAPT P10636 2/20 0.32
OPRK1 P41145 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL406092 0.80 HRH4 (0.42) HRH4HTR3BHTR3ACYP11B1CYP11B2
SCHEMBL405647 0.79 HRH4 (0.41) HRH4HTR3BHTR3ACYP11B1CYP11B2
SCHEMBL406619 0.78 HRH4 (0.40) HRH4HTR3BHTR3ACYP11B1CYP11B2
SCHEMBL405578 0.78 HRH4 (0.66) HRH4HTR3BHTR3AMAPT
SCHEMBL13334867 0.76 HRH4 (0.39) HRH4HTR3BHTR3ACYP11B1CYP11B2
SCHEMBL12224358 0.75 CYP3A4 (0.44)
SCHEMBL405252 0.74 HRH4 (0.46) HRH4HTR3AMAPTSMN1; SMN2
SCHEMBL406696 0.73 HRH4 (0.49) HRH4HTR3AMAPT
SCHEMBL405679 0.68 TDP1 (0.41)
SCHEMBL404446 0.67 HRH4 (0.54) HRH4HTR3BHTR3ASMN1; SMN2

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-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 (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-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

“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.