SCHEMBL12554158

SCHEMBL12554158

FC1[C@H]2CN[C@@H]1CN2c1cc(C(F)(F)F)ccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
FFAR4 Q5NUL3 1/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP17A1 P05093 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACB O00763 1/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 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
SCHEMBL1962412 1.00 ADRB1 (0.46) ADRB1HCRTR1HCRTR2FFAR4NR1H2
SCHEMBL1964545 1.00 ADRB1 (0.46) ADRB1HCRTR1HCRTR2FFAR4NR1H2
SCHEMBL7954354 0.91 ADRB1 (0.49) ADRB1HCRTR1HCRTR2FFAR4NR1H2
SCHEMBL11993831 0.91 ADRB1 (0.49) ADRB1HCRTR1HCRTR2FFAR4NR1H2
SCHEMBL1964868 0.86 ADRB1 (0.45) ADRB1HCRTR1HCRTR2FFAR4NR1H2
SCHEMBL1965218 0.86 ADRB1 (0.45) ADRB1HCRTR1HCRTR2FFAR4NR1H2
SCHEMBL12554159 0.86 ADRB1 (0.45) ADRB1HCRTR1HCRTR2FFAR4NR1H2
SCHEMBL12554164 0.86 ADRB1 (0.45) ADRB1HCRTR1HCRTR2FFAR4NR1H2
SCHEMBL15137215 0.74 FFAR4 (0.44) ADRB1HCRTR1HCRTR2FFAR4NR1H2
SCHEMBL1672164 0.73 ADRB1 (0.51) ADRB1HCRTR1HCRTR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946413-B2 3-aminocyclopentanecarboxamides as chemokine receptor agonists PFIZER INC. (US) 2015-02-03 US disclosed
US-20130197008-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS CHEMOKINE RECEPTOR AGONISTS PFIZER INC. (US) 2013-08-01 US disclosed
US-8293903-B2 3-aminocyclopentanecarboxamides as chemokine receptor agonists PFIZER INC. (US) 2012-10-23 US disclosed
US-8293903-B2 3-aminocyclopentanecarboxamides as chemokine receptor agonists PFIZER INC. (US) 2012-10-23 US disclosed
US-20110144129-A1 3-Aminocyclopentanecarboxamides as Chemokine Receptor Agonists PFIZER INC 2011-06-16 US disclosed
US-20110144129-A1 3-Aminocyclopentanecarboxamides as Chemokine Receptor Agonists PFIZER INC 2011-06-16 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 (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-20130197008-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS CHEMOKINE RECEPTOR AGONISTS ACKR3, CCR2, CCR5 ADRB1 114/4885HCRTR1 140/4885HCRTR2 153/4885
US-20110144129-A1 3-Aminocyclopentanecarboxamides as Chemokine Receptor Agonists ACKR3, CCR2, CCR5 ADRB1 106/4885HCRTR1 151/4885HCRTR2 155/4885

“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.