SCHEMBL5992125

SCHEMBL5992125

COc1ccccc1-c1cccc(CN)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.68
CASR P41180 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
PDE4D Q08499 1/20 0.51
FFAR1 O14842 4/20 0.50
PTPN5 P54829 1/20 0.50
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45

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
SCHEMBL12806502 0.85 HTR7 (0.69) HTR7CASRDRD2DRD4DRD3
SCHEMBL10287112 0.84 HTR7 (0.66) HTR7CASRDRD2DRD4DRD3
SCHEMBL2006742 0.84 HTR7 (0.51) HTR7PTPRCPTPN1DPP4
SCHEMBL2934073 0.83 HTR7 (0.72) HTR7CASRDRD2DRD4DRD3
SCHEMBL13434073 0.83 HTR7 (0.68) HTR7CASRDRD2DRD4DRD3
SCHEMBL7504815 0.83 HTR7 (0.68) HTR7CASRDRD2DRD4DRD3
SCHEMBL3842075 0.83 PDE4D (0.48) HTR7PDE4D
SCHEMBL12881923 0.82 HTR7 (0.71) HTR7CASRDRD2DRD4DRD3
SCHEMBL22398944 0.82 HTR7 (0.71) HTR7CASRDRD2DRD4DRD3
SCHEMBL29629017 0.82 HTR7 (0.64) HTR7PTPN5PTPRCPTPN1CYP1A1

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-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX HTR7 1266/4885CASR 4853/4885DRD2 1097/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 HTR7 950/4885CASR 4877/4885DRD2 4740/4885

“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.