SCHEMBL7870254

SCHEMBL7870254

CC(C)(C)OC(=O)NCCCCCN1Cc2cnc3cccc(n23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
BRD4 O60885 2/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38

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
Hydrochloric Acid SCHEMBL7863484 0.77 HEXA (0.34)
SCHEMBL7868706 0.76 ALDH1A1 (0.37) DRD2CA12CA2CA9
SCHEMBL7863452 0.75 DRD2 (0.44) DRD2CYP3A4TDP1CA12CA1
SCHEMBL7871627 0.74 PIM1 (0.45) DRD2CYP3A4TDP1BRD4
SCHEMBL7871623 0.74 BRD4 (0.44) DRD2CYP3A4BRD4
SCHEMBL7868717 0.73 DRD2 (0.42) DRD2CYP3A4CA12CA1CA2
SCHEMBL7863450 0.69 NPY5R (0.35)
SCHEMBL25756841 0.68 TDP1 (0.52) DRD2TDP1CA12CA1CA2
SCHEMBL31655700 0.68 TPSAB1 (0.54) DRD2CYP3A4TDP1BRD4TPSAB1
SCHEMBL22291518 0.68 TPSAB1 (0.54) DRD2CYP3A4TDP1BRD4TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
US-5958942-A HAVING EXCELLENT PDGF-INHIBITING ACTIVITIES, ANTIHYPERTENSIVE ACTIVITIES, ACTIVITIES OF AMELIORATING RENAL DISEASES AND ACTIVITIES OF LOWERING LIPID LEVEL. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN DRD2 1720/4885CYP3A4 775/4885TDP1 2771/4885

“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.