SCHEMBL7863415

SCHEMBL7863415

O=C1c2cnc3cccc(n23)CN1CCC1CCN(S(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.35
HTR1A P08908 12/20 0.35
DRD2 P14416 12/20 0.35
HTR7 P34969 12/20 0.35
HTR6 P50406 12/20 0.35
ACHE P22303 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
KCNH2 Q12809 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CNR2 P34972 2/20 0.33
HTR2C P28335 1/20 0.33
CNR1 P21554 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 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
SCHEMBL7870234 0.94 HDAC3 (0.32) HTR2AHTR1ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL7871669 0.93 HDAC3 (0.32) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8712933 0.93 ACHE (0.35) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL7868936 0.92 KCNH2 (0.33) PIM1FLT3KCNH2PIM3PIM2
Hydrochloric Acid SCHEMBL7863474 0.91 KCNH2 (0.32) PIM1FLT3KCNH2PIM3PIM2
SCHEMBL8708955 0.84 HTR2A (0.35) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8589168 0.83 HTR7 (0.36) HTR2AHTR1ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL8716045 0.82 HTR7 (0.35) HTR2AHTR1ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL7870198 0.79 IRAK4 (0.38) PIM1
Hydrochloric Acid SCHEMBL7868715 0.79 IRAK4 (0.38) PIM1

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-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-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP 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 HTR2A 313/4885HTR1A 239/4885DRD2 1720/4885

“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.