SCHEMBL2968306

SCHEMBL2968306

NC(=O)c1n[c]cn1CCN1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.53
HTR1A P08908 7/20 0.53
DRD2 P14416 7/20 0.53
DRD3 P35462 7/20 0.53
HTR2B P41595 7/20 0.53
HTR2A P28223 6/20 0.53
HRH1 P35367 6/20 0.53
PARP2 Q9UGN5 2/20 0.49
PARP1 P09874 1/20 0.49
SLC6A4 P31645 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
HDAC2 Q92769 1/20 0.44
OPRM1 P35372 1/20 0.43

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
SCHEMBL2983077 0.93 HTR7 (0.57) HTR7HTR1ADRD2DRD3HTR2B
SCHEMBL2822684 0.78 PARP1 (0.37) PARP2PARP1HDAC8HDAC2
SCHEMBL2977065 0.75 SMN1; SMN2 (0.36)
SCHEMBL3891857 0.72 HDAC3 (0.68) HTR7HTR1ADRD2DRD3HTR2B
SCHEMBL2981868 0.72 GAA (0.47) KDM4E
SCHEMBL2977670 0.71 GRIN2B (0.39) OPRM1OPRD1OPRK1
SCHEMBL4229925 0.71 HTR7 (0.73) HTR7HTR1ADRD2DRD3HTR2B
Hydrochloric Acid SCHEMBL4251907 0.71 HDAC3 (0.67) HTR7HTR1ADRD2DRD3HTR2B
Hydrochloric Acid SCHEMBL4222979 0.70 HTR7 (0.71) HTR7HTR1ADRD2DRD3HTR2B
SCHEMBL4225894 0.70 HDAC3 (0.71) HTR7HTR1ADRD2DRD3HTR2B

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 HTR7 768/4885HTR1A 384/4885DRD2 1020/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 HTR7 768/4885HTR1A 384/4885DRD2 1020/4885

“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.