SCHEMBL12844157

SCHEMBL12844157

CCCc1cnn2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.47
DRD3 P35462 2/20 0.47
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
SSTR4 P31391 1/20 0.34
LRRK2 Q5S007 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
DRD2 P14416 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NLRP3 Q96P20 1/20 0.32
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31

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
SCHEMBL12844538 0.98 DRD4 (0.46) DRD4DRD3HTR2AHTR2CCYP11B1
SCHEMBL10234967 0.86 DRD4 (0.49) DRD4DRD3HTR2AHTR2CCYP11B1
SCHEMBL25725598 0.82 DRD4 (0.39) DRD4DRD3CYP11B1CYP11B2HRH3
SCHEMBL25726274 0.82 DRD4 (0.39) DRD4DRD3CYP11B1CYP11B2HRH3
SCHEMBL12526128 0.80 DRD4 (0.43) DRD4DRD3HTR2AHTR2CCYP11B1
SCHEMBL12775909 0.78 DRD4 (0.46) DRD4DRD3HTR2AHTR2CCYP11B1
SCHEMBL25551723 0.78 DRD4 (0.46) DRD4DRD3HTR2AHTR2CCYP11B1
SCHEMBL12775911 0.77 DRD4 (0.45) DRD4DRD3HTR2AHTR2CCYP11B1
SCHEMBL23114534 0.75 DRD4 (0.40) DRD4DRD3HTR2AHTR2CCYP11B1
SCHEMBL670277 0.73 DRD4 (0.40) DRD4DRD3HTR2AHTR2CCYP11B1

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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (1 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK DRD4 3159/4885DRD3 2441/4885HTR2A 3052/4885

“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.