SCHEMBL4025985

SCHEMBL4025985

COc1ccc(C(N)=O)cc1OCCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
SMPD1 P17405 4/20 0.53
PRSS1 P07477 4/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50

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
SCHEMBL12970778 0.95 MAPK1 (0.72) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL621879 0.87 CA12 (0.69) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL31053926 0.86 MAPK1 (0.63) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL18031268 0.86 MAPT (0.62) PDE4DSMPD1CYP1A2CYP3A4CYP2C9
SCHEMBL15521570 0.86 MAPK1 (0.68) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL19444826 0.85 MAPK1 (0.67) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4684232 0.84 MAPK1 (0.49) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL13127009 0.84 PRSS1 (0.74) PRSS1TUBB1
SCHEMBL4280677 0.83 MAPK1 (0.90) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL6941556 0.83 MAPK1 (0.72) MAPK1PDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 WO 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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C MAPK1 2841/4885PDE4A 2466/4885PDE4B 2910/4885

“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.