SCHEMBL463013

SCHEMBL463013

Cc1cc2nc(NN)c(N3CCN(C)CC3)nc2cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
HTR3B O95264 3/20 0.38
HTR3A P46098 3/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL463644 0.86 HRH4 (0.53) HRH4SMN1; SMN2HTR3BHTR3AHTR3E
SCHEMBL463512 0.84 HRH4 (0.43) HRH4SMN1; SMN2HTR3BHTR3AHTR3E
SCHEMBL462840 0.81 HRH4 (0.64) HRH4HTR3BHTR3A
SCHEMBL405787 0.80 HRH4 (0.60) HRH4SMN1; SMN2HTR3BHTR3AHTR3E
SCHEMBL438697 0.76 KDM4E (0.54) HRH4SMN1; SMN2HTR3BHTR3AHTR3E
SCHEMBL10285836 0.75 KDM4E (0.42) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL462744 0.75 HRH4 (0.50) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL14829054 0.73 HRH4 (0.48) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL14829556 0.72 HRH4 (0.49) HRH4SMN1; SMN2HTR3A
SCHEMBL405865 0.71 PGK1 (0.39) SMN1; SMN2KDM4ERAB9ALMNAMAPT

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 1/4885SMN1; SMN2 4774/4885HTR3B 113/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885SMN1; SMN2 4774/4885HTR3B 113/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885SMN1; SMN2 4774/4885HTR3B 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.