SCHEMBL5585780

SCHEMBL5585780

CC1CNCCN1c1ccc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.60
HTR2C P28335 16/20 0.48
HTR2A P28223 8/20 0.47
KCNH2 Q12809 2/20 0.47
HTR2B P41595 6/20 0.44
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37

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
SCHEMBL5585784 1.00 ADRB2 (0.60) ADRB2HTR2CHTR2AKCNH2HTR2B
SCHEMBL5585823 1.00 ADRB2 (0.60) ADRB2HTR2CHTR2AKCNH2HTR2B
SCHEMBL6204964 0.89 ADRB2 (0.58) ADRB2HTR2CHTR2AKCNH2HTR2B
SCHEMBL15219155 0.86 HTR2C (0.48) ADRB2HTR2CHTR2AKCNH2HTR2B
SCHEMBL5585597 0.80 HTR2C (0.46) ADRB2HTR2CHTR2AKCNH2HTR2B
SCHEMBL5585599 0.80 HTR2C (0.46) ADRB2HTR2CHTR2AKCNH2HTR2B
SCHEMBL21262057 0.77 HTR2C (0.50) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL22578950 0.77 HTR2C (0.50) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL5586006 0.77 HTR2C (0.51) ADRB2HTR2CHTR2AKCNH2HTR2B
SCHEMBL5585870 0.77 HTR2C (0.51) ADRB2HTR2CHTR2AKCNH2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADRB2 63/4885HTR2C 233/4885HTR2A 520/4885

“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.