SCHEMBL145667

SCHEMBL145667

CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 7/20 0.44
FPR2 P25090 5/20 0.44
MC4R P32245 4/20 0.41
KCNH2 Q12809 1/20 0.40
KDM1A O60341 2/20 0.40
NR3C2 P08235 2/20 0.39
EPHX2 P34913 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
HTR2C P28335 1/20 0.38
F2R P25116 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 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
SCHEMBL145666 1.00 FPR1 (0.44) FPR1FPR2MC4RKCNH2KDM1A
SCHEMBL145665 1.00 FPR1 (0.44) FPR1FPR2MC4RKCNH2KDM1A
SCHEMBL146482 0.91 KDM1A (0.40) FPR1FPR2KDM1AEPHX2KDM4D
SCHEMBL146484 0.91 KDM1A (0.40) FPR1FPR2KDM1AEPHX2KDM4D
SCHEMBL146483 0.91 KDM1A (0.40) FPR1FPR2KDM1AEPHX2KDM4D
SCHEMBL462835 0.89 FPR1 (0.46) FPR1FPR2KDM1AEPHX2KDM4D
SCHEMBL462836 0.89 FPR1 (0.46) FPR1FPR2KDM1AEPHX2KDM4D
SCHEMBL462837 0.89 FPR1 (0.46) FPR1FPR2KDM1AEPHX2KDM4D
SCHEMBL462830 0.87 KDM1A (0.39) FPR1FPR2KCNH2KDM1AEPHX2
SCHEMBL170772 0.87 KDM1A (0.39) FPR1FPR2KCNH2KDM1AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-08-03 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 FPR1 717/4885FPR2 571/4885MC4R 74/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK FPR1 1560/4885FPR2 2622/4885MC4R 1158/4885

“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.