SCHEMBL6775661

SCHEMBL6775661

O=C(O)C1CCc2ccc3ccccc3c2C1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HIF1A Q16665 1/20 0.67
NFKB1 P19838 8/20 0.42
NFKB2 Q00653 8/20 0.42
RELA Q04206 8/20 0.42
KDM4E B2RXH2 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.37
NR4A1 P22736 1/20 0.37
WDR5 P61964 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL28137295 0.93 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL28217691 0.77 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL1514531 0.77 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL2791039 0.75 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL27944935 0.73 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL10876813 0.73 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL6944904 0.73 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL29568643 0.71 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL901095 0.71 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL7901109 0.71 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A

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-6747032-B2 DOUBLE ALPHA 2/5-HT 2C ANTAGONISTS USED TO TREAT DEPRESSION, IMPULSIVE BEHAVIOUR DISORDERS, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, COGNITIVE DISORDERS AND DISORDERS INVOLVING SEXUAL FUNCTION, SLEEP AND EATING LES LABORATOIRES SERVIER (FR) 2004-06-08 US disclosed
US-20030087916-A1 Pyrimidin-4-one compounds LES LABORATOIRES SERVIER (FR) 2003-05-08 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-20030087916-A1 Pyrimidin-4-one compounds HTR2C, HTR1A, HTR4 CYP1A2 75/4885CYP2D6 119/4885CYP2C9 113/4885

“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.