SCHEMBL5585643

SCHEMBL5585643

C[C@H]1CN(c2ccc(C(F)(F)F)c(OCc3ccccc3)n2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
PRKCQ Q04759 5/20 0.40
PRKCD Q05655 3/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
FLT3 P36888 1/20 0.40
PRKCE Q02156 1/20 0.40
CSNK1E P49674 1/20 0.39
IDH1 O75874 1/20 0.38
ADRB2 P07550 1/20 0.37
PRMT5 O14744 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MCHR1 Q99705 2/20 0.37
HDAC1 Q13547 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KHK P50053 1/20 0.36
TTR P02766 1/20 0.36
ACVR1 Q04771 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
SCHEMBL5585869 1.00 HTR2C (0.41) HTR2CPRKCQPRKCDPRKCBPRKCA
SCHEMBL5585640 1.00 HTR2C (0.41) HTR2CPRKCQPRKCDPRKCBPRKCA
Acetic Acid SCHEMBL6184911 0.95 PRKCQ (0.42) HTR2CPRKCQPRKCDPRKCBPRKCA
SCHEMBL5585610 0.85 ADRB2 (0.53) HTR2CADRB2PRMT5PIM1PIM3
SCHEMBL5585664 0.78 HTR2C (0.51) HTR2CHDAC1PIM1PIM3PIM2
SCHEMBL5585663 0.78 HTR2C (0.51) HTR2CHDAC1PIM1PIM3PIM2
SCHEMBL5585849 0.78 HTR2C (0.51) HTR2CHDAC1PIM1PIM3PIM2
SCHEMBL18768511 0.77 NTRK1 (0.48) CSNK1EPRMT5MCHR1HDAC1KHK
SCHEMBL5585785 0.75 ADRB2 (0.65) HTR2CPRKCQPRKCDPRKCBPRKCA
SCHEMBL5585596 0.75 ADRB2 (0.65) HTR2CPRKCQPRKCDPRKCBPRKCA

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 13 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
US-20030232814-A1 Novel compounds and their use BIOVITRUM AB (PUBL) (SE) 2003-12-18 US 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 233/4885PRKCQ 1842/4885PRKCD 1682/4885

“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.