SCHEMBL5585849

SCHEMBL5585849

C[C@H]1CNCCN1c1ccc(C(F)(F)F)c(OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.51
HTR2A P28223 4/20 0.51
KCNH2 Q12809 2/20 0.51
HTR2B P41595 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
SLC6A4 P31645 1/20 0.37
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
SPAST Q9UBP0 1/20 0.36

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
SCHEMBL5585663 1.00 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BCYP1A2
SCHEMBL5585664 1.00 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BCYP1A2
Acetic Acid SCHEMBL6184549 0.95 HTR2C (0.49) HTR2CHTR2AKCNH2HTR2BCYP1A2
SCHEMBL5585610 0.82 ADRB2 (0.53) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL5585237 0.80 HTR2C (0.50) HTR2CHTR2AKCNH2HTR2BCYP1A2
SCHEMBL5585267 0.80 HTR2C (0.50) HTR2CHTR2AKCNH2HTR2BCYP1A2
SCHEMBL5585322 0.78 HTR2C (0.50) HTR2CHTR2AKCNH2HTR2BCYP1A2
SCHEMBL5585640 0.78 HTR2C (0.41) HTR2CHDAC1PIM1PIM3PIM2
SCHEMBL5585869 0.78 HTR2C (0.41) HTR2CHDAC1PIM1PIM3PIM2
SCHEMBL5585643 0.78 HTR2C (0.41) HTR2CHDAC1PIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1329389-C Novel compounds and their use BIOVITRUM AB (SE) 2007-08-01 CN claimed
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
CN-1701068-A Novel compounds and their use BIOVITRUM AB (SE) 2005-11-23 CN 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
CN-1329389-C Novel compounds and their use BIOVITRUM AB (SE) 2007-08-01 CN disclosed
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
CN-1701068-A Novel compounds and their use BIOVITRUM AB (SE) 2005-11-23 CN 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.