SCHEMBL4371676

SCHEMBL4371676

Nc1ccc(C(F)(F)C(F)(F)F)c(OCCN2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.48
PTGS2 P35354 2/20 0.48
PTGS1 P23219 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL447193 0.89 LTA4H (0.54) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL444836 0.88 LTA4H (0.53) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL427937 0.83 KDM4E (0.62) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E
SCHEMBL448001 0.83 CYP1A2 (0.64) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL4270618 0.81 CYP1A2 (0.51) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL30950884 0.81 CYP1A2 (0.51) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL13946680 0.80 LTA4H (0.55) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL4363192 0.80 LTA4H (0.54) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL445318 0.79 LTA4H (0.53) LTA4HPTGS2PTGS1CYP1A2CYP2D6
SCHEMBL14320670 0.76 SMN1; SMN2 (0.66) LTA4HPTGS2PTGS1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS LTA4H 324/4885PTGS2 73/4885PTGS1 38/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS LTA4H 342/4885PTGS2 118/4885PTGS1 44/4885

“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.