SCHEMBL405909

SCHEMBL405909

Cc1ccc2nc(N3CCN(C)CC3)c3nn(C)cc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.57
HRH3 Q9Y5N1 2/20 0.54
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
ADRB2 P07550 1/20 0.48
TP53 P04637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ACHE P22303 1/20 0.47
KDM1A O60341 1/20 0.43
SLC2A1 P11166 1/20 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
SCHEMBL405326 0.88 HTR6 (0.48) HRH4HRH3TSHRHTR3EHTR3B
SCHEMBL405258 0.86 HRH4 (0.65) HRH4HRH3KDM4EALDH1A1HTR3A
SCHEMBL405470 0.86 HTT (0.54) HRH4HRH3KDM4EALDH1A1HTR3E
SCHEMBL439421 0.83 HRH4 (0.50) HRH4HRH3KDM4ETSHRHTR3E
SCHEMBL404976 0.79 HRH4 (0.56) HRH4HRH3KDM4EALDH1A1HPGD
SCHEMBL406369 0.79 HRH4 (0.56) HRH4HRH3KDM4EALDH1A1HPGD
SCHEMBL406085 0.78 HRH4 (0.46) HRH4KDM4EALDH1A1TP53ACHE
SCHEMBL406338 0.76 HRH4 (0.56) HRH4HRH3KDM4EALDH1A1HPGD
SCHEMBL12329717 0.76 HRH4 (0.53) HRH4HRH3KDM4EALDH1A1HTR3A
SCHEMBL406065 0.75 LMNA (0.45) HRH4KDM4EALDH1A1RAB9AACHE

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885KDM4E 1897/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885KDM4E 1897/4885

“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.