SCHEMBL4510164

SCHEMBL4510164

O=C1NCCc2ccc3c(c21)C=CCO3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.39
▸ CYP1B1 Q16678 5/20 0.39
▸ CYP1A1 P04798 5/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PARP10 Q53GL7 8/20 0.36
▸ PARP1 P09874 6/20 0.36
▸ PARP11 Q9NR21 3/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ CYP2B6 P20813 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 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
SCHEMBL4510020 0.85 CYP1A2 (0.40) CYP1A2CYP1B1CYP1A1CYP2B6CA1
SCHEMBL4482004 0.73 PARP10 (0.36) KDM4EPARP10PARP1PARP11PDPK1
SCHEMBL4511230 0.70 PARP1 (0.34) KDM4EPARP10PARP1PARP11PDPK1
SCHEMBL1666195 0.70 CYP1A2 (0.35) CYP1A2CYP1B1CYP1A1
SCHEMBL4708565 0.69 KDM4E (0.39) KDM4EPARP10PARP1PARP11PDPK1
SCHEMBL7516543 0.68 CYP1A2 (0.36) CYP1A2CYP1B1CYP1A1KDM4ECYP2B6
SCHEMBL4496124 0.68 CYP1A2 (0.41) CYP1A2CYP1B1CYP1A1PARP1CYP2B6
SCHEMBL4712134 0.67 CYP1A2 (0.40) CYP1A2CYP1B1CYP1A1CYP2B6CA1
Indoline SCHEMBL2576391 0.65 CYP1A2 (0.36) CYP1A2CYP1B1CYP1A1KDM4ECYP2B6
SCHEMBL12608776 0.65 CYP1A2 (0.50) CYP1A2CYP1B1CYP1A1CYP2B6

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
US-7495111-B2 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2009-02-24 — — US disclosed
EP-1893617-A1 TRICYCLIC COMPOUNDS USEFUL AS SEROTONIN INHIBITORS AND 5-HT1A AGONISTS AND ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 — — EP disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 — — US disclosed
WO-2006138549-A1 TRICYCLIC COMPOUNDS USEFUL AS SEROTONIN INHIBITORS AND 5-HT1A AGONISTS AND ANTAGONISTS WYETH (US) 2006-12-28 — — 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-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists HTR1A, HTR7, HTR3A CYP1A2 605/4885CYP1B1 1209/4885CYP1A1 606/4885

“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.

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