SCHEMBL7185897

SCHEMBL7185897

O=C1CC2C=C(c3c[nH]c4ccccc34)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TDO2 P48775 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
PRKD3 O94806 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
ABL1 P00519 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
PRKCA P17252 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
CCND1 P24385 1/20 0.44

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
SCHEMBL6843937 1.00 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3TDO2SIRT2
SCHEMBL7607611 0.71 CFTR (0.36) ALDH1A1MAPTLMNANPC1HTT
SCHEMBL9213561 0.69 DRD2 (0.59) SLC6A4TDO2SIRT2PRKD3CCNB2
SCHEMBL6839496 0.69 USP8 (0.35) PIM1KDM4EALDH1A1DRD2
SCHEMBL6574084 0.68 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3KDM4EALOX15
SCHEMBL1202543 0.67 IMPDH2 (0.63) SIRT2PRKD3CCNB2CCNE2ABL1
Ethylene SCHEMBL7259929 0.67 DRD2 (0.56) SLC6A4TDO2SIRT2PRKD3CCNB2
SCHEMBL2956991 0.66 SIRT2 (0.50) SLC6A4TDO2SIRT2PRKD3CCNB2
SCHEMBL2956996 0.66 SIRT2 (0.50) SLC6A4TDO2SIRT2PRKD3CCNB2
SCHEMBL28773698 0.65 KDM4E (0.50) SLC6A4TDO2SIRT2PRKD3CCNB2

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-6548502-B2 Preventing disorder selected from pathological gambling, attention deficit disorder with hyperactivity disorder, substance addiction such as drug and alcohol and sex in a mammals by administering pyrido(1,2-a) pyrazine derivatives PFIZER INC 2003-04-15 US disclosed
US-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2002-04-25 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-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 SLC6A4 4/4885SLC6A2 5/4885SLC6A3 1/4885

“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.