SCHEMBL1961892

SCHEMBL1961892

COC(=O)c1ccc2nc(-c3ccnn3C3CCCCO3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.45
CYP4F2 P78329 6/20 0.45
CYP4A11 Q02928 6/20 0.45
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 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
SCHEMBL15016182 0.89 CYP4F2 (0.50) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL1963320 0.86 ALOX15 (0.46) ALOX15HTTALDH1A1MEN1KMT2A
SCHEMBL1961531 0.80 CYP4F2 (0.46) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL18720911 0.79 RXRA (0.58) ATRCYP4F2CYP4A11ALDH1A1MEN1
SCHEMBL16589766 0.78 CYP4F2 (0.48) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL24900263 0.77 RXRA (0.50) ATRCYP4F2CYP4A11ALDH1A1MEN1
SCHEMBL17110684 0.77 CYP4F2 (0.45) ATRCYP4F2CYP4A11ALDH1A1HCRTR1
SCHEMBL22234202 0.75 CYP4F2 (0.50) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL17110659 0.75 CYP4F2 (0.43) ATRCYP4F2CYP4A11ALDH1A1HCRTR1
SCHEMBL25304235 0.75 CYP4F2 (0.43) ATRCYP4F2CYP4A11ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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 (1 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 ATR 4047/4885CYP4F2 912/4885CYP4A11 864/4885

“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.