SCHEMBL5585948

SCHEMBL5585948

CC1CN(c2ccc(C(F)(F)F)c(SCc3ccccc3Cl)n2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
ADRB2 P07550 1/20 0.39
PTPN11 Q06124 1/20 0.39
HTR2C P28335 1/20 0.39
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.38
OPRL1 P41146 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.36
PRKCQ Q04759 2/20 0.36
PRKCD Q05655 2/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
FLT3 P36888 1/20 0.36
PRKCE Q02156 1/20 0.36
LMNA P02545 1/20 0.35
CSNK1E P49674 1/20 0.35
S100A4 P26447 1/20 0.35
NPC1 O15118 2/20 0.34

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
SCHEMBL5585951 1.00 HTR6 (0.40) HTR6ADRB2PTPN11HTR2CLCK
SCHEMBL5585854 0.86 ADRB2 (0.55) HTR6ADRB2PTPN11HTR2CKMT2A
SCHEMBL5585944 0.82 HTR2C (0.45) ADRB2HTR2CLCKSRCPRKCQ
SCHEMBL5585680 0.82 HTR2C (0.45) ADRB2HTR2CLCKSRCPRKCQ
SCHEMBL5585677 0.82 HTR2C (0.45) ADRB2HTR2CLCKSRCPRKCQ
Acetic Acid SCHEMBL6182343 0.82 ADRB2 (0.48) HTR6ADRB2PTPN11HTR2CKMT2A
SCHEMBL5586006 0.80 HTR2C (0.51) HTR6ADRB2PTPN11HTR2CKMT2A
SCHEMBL5585867 0.80 HTR2C (0.51) HTR6ADRB2PTPN11HTR2CKMT2A
SCHEMBL5585870 0.80 HTR2C (0.51) HTR6ADRB2PTPN11HTR2CKMT2A
SCHEMBL5780913 0.78 HTR2C (0.41) ADRB2HTR2CLCKSRCPRKCQ

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 9 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
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 HTR6 269/4885ADRB2 63/4885PTPN11 2418/4885

“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.