SCHEMBL440958

SCHEMBL440958

CC(C)(C)OC(=O)N(F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.43
CES2 O00748 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOB P27338 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MGLL Q99685 1/20 0.39
CETP P11597 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL29042373 0.84 RXFP1 (0.42) RXFP1CES2NPSR1TP53LTB4R2
SCHEMBL1007873 0.84 RXFP1 (0.42) RXFP1CES2NPSR1TP53LTB4R2
SCHEMBL5802953 0.84 RXFP1 (0.42) RXFP1CES2NPSR1TP53LTB4R2
SCHEMBL20578105 0.83 MEN1 (0.59) RXFP1NPSR1SMN1; SMN2LMNATSHR
SCHEMBL20577935 0.81 MEN1 (0.60) RXFP1NPSR1TP53ALDH1A1SMN1; SMN2
SCHEMBL20577802 0.80 MAPT (0.59) RXFP1NPSR1TP53ALDH1A1SMN1; SMN2
SCHEMBL4632782 0.80 MEN1 (0.44) RXFP1NPSR1LTB4R2HSD17B1HSD17B2
SCHEMBL4499074 0.80 LTB4R2 (0.45) RXFP1NPSR1LTB4R2ALDH1A1L3MBTL1
SCHEMBL1779795 0.79 MTNR1A (0.44) CES2NPSR1HSD17B1HSD17B2TSHR
SCHEMBL27536175 0.79 MEN1 (0.41) NPSR1ALDH1A1L3MBTL1SMN1; SMN2LMNA

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 RXFP1 471/4885CES2 4330/4885NPSR1 86/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 RXFP1 471/4885CES2 4330/4885NPSR1 86/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 RXFP1 471/4885CES2 4330/4885NPSR1 86/4885

“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.