SCHEMBL5585599

SCHEMBL5585599

CCSc1nc(N2CCNC[C@H]2C)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.46
HTR2A P28223 9/20 0.46
KCNH2 Q12809 2/20 0.46
HTR2B P41595 8/20 0.39
ADRB2 P07550 1/20 0.38
CYP3A4 P08684 1/20 0.36
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35

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
SCHEMBL5585597 1.00 HTR2C (0.46) HTR2CHTR2AKCNH2HTR2BADRB2
Acetic Acid SCHEMBL6183329 0.94 HTR2C (0.44) HTR2CHTR2AKCNH2HTR2BADRB2
SCHEMBL5585870 0.83 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BADRB2
SCHEMBL5585867 0.83 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BADRB2
SCHEMBL5586006 0.83 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BADRB2
SCHEMBL5585796 0.81 ADRB2 (0.58) HTR2CHTR2AADRB2CYP3A4
SCHEMBL15219155 0.81 HTR2C (0.48) HTR2CHTR2AKCNH2HTR2BADRB2
SCHEMBL5585784 0.80 ADRB2 (0.60) HTR2CHTR2AKCNH2HTR2BADRB2
SCHEMBL5585823 0.80 ADRB2 (0.60) HTR2CHTR2AKCNH2HTR2BADRB2
SCHEMBL5585780 0.80 ADRB2 (0.60) HTR2CHTR2AKCNH2HTR2BADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229997-B2 Compounds and their use BIOVITRUM AB (SE) 2007-06-12 US claimed
EP-1506185-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF 5-HT BIOVITRUM AB (SE) 2006-05-24 EP claimed
JP-2005529926-A 2005-10-06 JP claimed
EP-1506185-A1 NOVEL COMPOUNDS AND THEIR USE Biovitrum AB (SE) 2005-02-16 EP claimed
US-20030232814-A1 Novel compounds and their use BIOVITRUM AB (PUBL) (SE) 2003-12-18 US claimed
WO-2003097636-A1 NOVEL COMPOUNDS AND THEIR USE BIOVITRUM AB (SE) 2003-11-27 WO claimed
US-7229997-B2 Compounds and their use BIOVITRUM AB (SE) 2007-06-12 US disclosed
EP-1506185-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF 5-HT BIOVITRUM AB (SE) 2006-05-24 EP disclosed
EP-1506185-A1 NOVEL COMPOUNDS AND THEIR USE Biovitrum AB (SE) 2005-02-16 EP disclosed
US-20030232814-A1 Novel compounds and their use BIOVITRUM AB (PUBL) (SE) 2003-12-18 US disclosed
WO-2003097636-A1 NOVEL COMPOUNDS AND THEIR USE BIOVITRUM AB (SE) 2003-11-27 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-20030232814-A1 Novel compounds and their use GPR119, FABP4, MC4R HTR2C 233/4885HTR2A 520/4885KCNH2 3865/4885

“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.