SCHEMBL7863460

SCHEMBL7863460

O=C(NCCCCN1Cc2cccc3ncc(n23)C1)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.36
DRD4 P21917 10/20 0.36
DRD3 P35462 6/20 0.34
HRH4 Q9H3N8 1/20 0.33
HTR1A P08908 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR3 P51677 1/20 0.33
HDAC8 Q9BY41 1/20 0.32

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 SCHEMBL7870209 0.99 DRD2 (0.35) DRD2DRD4DRD3HRH4HTR1A
SCHEMBL7871562 0.92 ALDH1A1 (0.39) DRD2DRD4DRD3HRH4HTR1A
Hydrochloric Acid SCHEMBL7868678 0.91 ALDH1A1 (0.38) DRD2DRD4DRD3HRH4HTR1A
SCHEMBL7871572 0.83 L3MBTL1 (0.31) DRD2DRD4L3MBTL1HDAC8
Hydrochloric Acid SCHEMBL7872401 0.82 L3MBTL1 (0.31) DRD2DRD4L3MBTL1HDAC8
SCHEMBL7875400 0.79 IDO1 (0.36) DRD2HTR1AHTR2AL3MBTL1
SCHEMBL7871610 0.78 NPY5R (0.37) DRD2HTR1AHTR2AL3MBTL1
SCHEMBL7872422 0.75 IDO1 (0.36) DRD2HTR1AHTR2AHTR2C
SCHEMBL7868706 0.74 ALDH1A1 (0.37) DRD2DRD4DRD3HDAC8
Hydrochloric Acid SCHEMBL7871554 0.73 ALDH1A1 (0.36) DRD2DRD4

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 1720/4885DRD4 1994/4885DRD3 1823/4885

“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.