SCHEMBL551453

SCHEMBL551453

O=C1N([C@H]2CC[C@H](O)CC2)CC[C@]12CCCN(c1cc(C(F)(F)F)ccn1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.47
LCAT P04180 2/20 0.43
ADRB1 P08588 1/20 0.41
CXCR3 P49682 1/20 0.39
CYP17A1 P05093 1/20 0.39
CHRM4 P08173 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAP3K12 Q12852 1/20 0.38
EIF2AK4 Q9P2K8 2/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CCR2 P41597 4/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL2699200 1.00 FFAR4 (0.47) FFAR4LCATADRB1CXCR3CYP17A1
SCHEMBL2699635 1.00 FFAR4 (0.47) FFAR4LCATADRB1CXCR3CYP17A1
SCHEMBL549223 1.00 FFAR4 (0.47) FFAR4LCATADRB1CXCR3CYP17A1
SCHEMBL549224 1.00 FFAR4 (0.47) FFAR4LCATADRB1CXCR3CYP17A1
SCHEMBL2699204 1.00 FFAR4 (0.47) FFAR4LCATADRB1CXCR3CYP17A1
SCHEMBL550211 1.00 FFAR4 (0.47) FFAR4LCATADRB1CXCR3CYP17A1
SCHEMBL550212 1.00 FFAR4 (0.47) FFAR4LCATADRB1CXCR3CYP17A1
SCHEMBL4719611 0.91 FFAR4 (0.53) FFAR4LCATADRB1CXCR3CYP17A1
SCHEMBL4721294 0.91 FFAR4 (0.53) FFAR4LCATADRB1CXCR3CYP17A1
SCHEMBL5630431 0.91 FFAR4 (0.53) FFAR4LCATADRB1CXCR3CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US claimed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US claimed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 FFAR4 3238/4885LCAT 661/4885ADRB1 48/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 FFAR4 3238/4885LCAT 661/4885ADRB1 48/4885

“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.