SCHEMBL19947248

SCHEMBL19947248

O=C(OCC1CCCN(C2CCNCC2)C1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.40
ACHE P22303 1/20 0.36
CCR2 P41597 7/20 0.35
KCNH2 Q12809 4/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
F2R P25116 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32

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
Trifluoroacetic Acid SCHEMBL19947246 0.80 MEN1 (0.37) CCR2KCNH2ITGB3ITGA2BF2R
SCHEMBL24183631 0.77 CCR2 (0.33) BCHECCR2KCNH2
Hydrochloric Acid SCHEMBL28842833 0.76 CCR2 (0.32) BCHECCR2KCNH2
SCHEMBL16823881 0.76 CCR4 (0.37) BCHEACHECCR2PARP1
SCHEMBL24183510 0.75 CYP2D6 (0.36) BCHECCR2ITGB3ITGA2BF2R
SCHEMBL1901721 0.74 TYMP (0.38) CCR2KCNH2MEN1KMT2AL3MBTL3
Hydrochloric Acid SCHEMBL28842850 0.74 CYP2D6 (0.35) BCHECCR2ITGB3ITGA2BF2R
SCHEMBL24183650 0.73 HTR6 (0.32) CCR2KCNH2L3MBTL3L3MBTL1
SCHEMBL24183622 0.72
SCHEMBL24183627 0.72 ADRA2C (0.39) BCHECCR2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 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 (2 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-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 BCHE 2740/4885ACHE 3942/4885CCR2 5/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 BCHE 2740/4885ACHE 3942/4885CCR2 5/4885

“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.