SCHEMBL5585598

SCHEMBL5585598

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.65
HTR2C P28335 1/20 0.49
CXCR3 P49682 1/20 0.41
LCK P06239 1/20 0.40
SRC P12931 1/20 0.40
ACVR1 Q04771 2/20 0.40
LCAT P04180 1/20 0.40
PRKCQ Q04759 5/20 0.39
PRKCD Q05655 3/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
FLT3 P36888 1/20 0.39
PRKCE Q02156 1/20 0.39
CSNK1E P49674 2/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 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
SCHEMBL5585785 1.00 ADRB2 (0.65) ADRB2HTR2CCXCR3LCKSRC
SCHEMBL5585596 1.00 ADRB2 (0.65) ADRB2HTR2CCXCR3LCKSRC
SCHEMBL6204964 0.88 ADRB2 (0.58) ADRB2HTR2CCXCR3LCKSRC
SCHEMBL29388809 0.80 ADRB2 (0.97) ADRB2HTR2CCXCR3LCATALDH1A1
SCHEMBL906077 0.80 ADRB2 (0.97) ADRB2HTR2CCXCR3LCATALDH1A1
SCHEMBL5585677 0.79 HTR2C (0.45) ADRB2HTR2CLCKSRCACVR1
SCHEMBL5585944 0.79 HTR2C (0.45) ADRB2HTR2CLCKSRCACVR1
SCHEMBL5585680 0.79 HTR2C (0.45) ADRB2HTR2CLCKSRCACVR1
Hydrochloric Acid SCHEMBL5585896 0.79 ADRB2 (1.00) ADRB2HTR2CCXCR3LCATALDH1A1
SCHEMBL5780913 0.77 HTR2C (0.41) ADRB2HTR2CLCKSRCACVR1

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
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
US-7229997-B2 Compounds and their use BIOVITRUM AB (SE) 2007-06-12 US 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 ADRB2 63/4885HTR2C 233/4885CXCR3 3917/4885

“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.