SCHEMBL2970643

SCHEMBL2970643

NC(=O)c1n[c]cn1CCN1CCC(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
PRCP P42785 4/20 0.38
LMNA P02545 1/20 0.38
HRH1 P35367 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH2 P25021 1/20 0.38
SLC18A3 Q16572 2/20 0.36
DRD2 P14416 3/20 0.36
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR7 P34969 2/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
AOC3 Q16853 2/20 0.36
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL2973053 0.94 HRH3 (0.39) HRH3PRCPLMNAAOC3
SCHEMBL2977075 0.78 DRD4 (0.41) DRD2
SCHEMBL2822684 0.76 PARP1 (0.37) LMNA
SCHEMBL2979782 0.74 HTR7 (0.39) HRH3HRH1DRD2HTR1AHTR2A
SCHEMBL2981868 0.73 GAA (0.47)
SCHEMBL4706551 0.72 JAK2 (0.48) HRH3LMNAAOC3
SCHEMBL2977065 0.71 SMN1; SMN2 (0.36)
SCHEMBL1307142 0.70 HRH3 (0.52) HRH3HRH1SIGMAR1HRH2SLC18A3
Hydrochloric Acid SCHEMBL9811414 0.70 SIGMAR1 (0.56) HRH3PRCPLMNASIGMAR1SLC18A3
SCHEMBL2968306 0.70 HTR7 (0.53) HRH1DRD2HTR1AHTR2ASLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US claimed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 US claimed
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 HRH3 26/4885PRCP 3148/4885LMNA 2726/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 HRH3 26/4885PRCP 3148/4885LMNA 2726/4885

“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.