SCHEMBL549582

SCHEMBL549582

O=C1N(c2cccc3cnccc23)CCC12CCCN(c1ccc(C(F)(F)F)cn1)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.41
HCRTR1 O43613 2/20 0.41
OPRM1 P35372 3/20 0.39
OPRL1 P41146 2/20 0.39
EIF2AK4 Q9P2K8 2/20 0.38
HTR7 P34969 1/20 0.38
TRPV1 Q8NER1 5/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL17081989 1.00 HCRTR2 (0.41) HCRTR2HCRTR1OPRM1OPRL1EIF2AK4
SCHEMBL549613 0.85 HCRTR2 (0.39) HCRTR2HCRTR1OPRM1OPRL1EIF2AK4
SCHEMBL17082053 0.85 HCRTR2 (0.39) HCRTR2HCRTR1OPRM1OPRL1EIF2AK4
SCHEMBL2698115 0.84 HTR7 (0.41) OPRM1OPRL1EIF2AK4HTR7CYP2C9
SCHEMBL549544 0.84 HTR7 (0.41) OPRM1OPRL1EIF2AK4HTR7CYP2C9
SCHEMBL549474 0.84 HTR7 (0.41) OPRM1OPRL1EIF2AK4HTR7CYP2C9
SCHEMBL17082033 0.84 HTR7 (0.41) OPRM1OPRL1EIF2AK4HTR7CYP2C9
SCHEMBL17082065 0.82 S100A4 (0.43) HCRTR2OPRM1OPRL1EIF2AK4HTR7
SCHEMBL17082077 0.82 SMN1; SMN2 (0.43) HCRTR2OPRM1OPRL1HTR7CYP2C9
SCHEMBL550732 0.82 SMN1; SMN2 (0.43) HCRTR2OPRM1OPRL1HTR7CYP2C9

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 21 patents — showing the first 20. 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
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP claimed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP claimed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US claimed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO claimed
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed
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
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP 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
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP disclosed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US disclosed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 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 (3 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-20060116382-A1 Lactam compounds and their use as pharmaceuticals HSD11B1, HSD11B2, HSD17B1 HCRTR2 3116/4885HCRTR1 2917/4885OPRM1 690/4885
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HCRTR2 3116/4885HCRTR1 2917/4885OPRM1 690/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HCRTR2 3116/4885HCRTR1 2917/4885OPRM1 690/4885

“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.