SCHEMBL404976

SCHEMBL404976

Cc1ccc2nc(N3CCN(C)CC3)c3n[nH]cc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.56
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
ADRB2 P07550 1/20 0.47
ACHE P22303 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TP53 P04637 2/20 0.45
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KDM1A O60341 1/20 0.42
HTR6 P50406 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
SCHEMBL405896 0.86 HTT (0.53) HRH4ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL404914 0.86 HRH4 (0.55) HRH4KDM4EALDH1A1HTR3AHRH3
SCHEMBL441016 0.83 KDM4E (0.48) HRH4KDM4ETSHRHTR3EHTR3B
SCHEMBL405909 0.79 HRH4 (0.57) HRH4KDM4EALDH1A1HPGDTSHR
SCHEMBL406369 0.78 HRH4 (0.56) HRH4KDM4EALDH1A1HPGDTSHR
SCHEMBL406338 0.75 HRH4 (0.56) HRH4KDM4EALDH1A1HPGDTSHR
SCHEMBL15650530 0.73 LMNA (0.46) KDM4EALDH1A1RAB9AACHE
SCHEMBL406425 0.72 HTT (0.54) HTR3AHTR6
SCHEMBL404912 0.72 PDE10A (0.51) HRH4KDM4EHTR3EHTR3BHTR3A
SCHEMBL406085 0.70 HRH4 (0.46) HRH4KDM4EALDH1A1ACHETP53

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 1/4885KDM4E 1897/4885ALDH1A1 1909/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885KDM4E 1897/4885ALDH1A1 1909/4885

“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.