SCHEMBL463028

SCHEMBL463028

CN1CCN(c2nc3ccc(C(F)(F)F)c(F)c3nc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.53
HTR3B O95264 3/20 0.53
HTR3A P46098 3/20 0.53
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
MAPK1 P28482 2/20 0.42
GRM2 Q14416 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 3/20 0.39
TSHR P16473 2/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39

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
SCHEMBL405472 0.83 HRH4 (0.57) HRH4HTR3BHTR3ASMN1; SMN2TSHR
SCHEMBL463029 0.82 HRH4 (0.44) HRH4HTR3BHTR3ACYP1A2CYP3A4
SCHEMBL463506 0.77 HRH4 (0.56) HRH4HTR3BHTR3ACYP1A2CYP3A4
SCHEMBL438099 0.76 TDP1 (0.35)
SCHEMBL463021 0.75 HRH4 (0.57) HRH4HTR3BHTR3ACYP1A2CYP3A4
SCHEMBL440993 0.74 HRH4 (0.63) HRH4HTR3BHTR3ACYP1A2CYP3A4
SCHEMBL439765 0.74 HRH4 (0.63) HRH4HTR3BHTR3ACYP1A2CYP3A4
SCHEMBL6362360 0.72 HRH4 (0.68) HRH4HTR3BHTR3ASMN1; SMN2MEN1
SCHEMBL406322 0.71 HRH4 (0.67) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL12329943 0.71 HRH4 (0.45) HRH4HTR3BHTR3ACYP1A2CYP3A4

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-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
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.