SCHEMBL1578055

SCHEMBL1578055

O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)C(=O)C1)N1CC=C(c2ccc(Cl)c(C(F)(F)F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPV1 Q8NER1 11/20 0.38
GRIN2B Q13224 3/20 0.35
FNTA P49354 2/20 0.35
PGGT1B P53609 2/20 0.35
HSD11B1 P28845 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
SCHEMBL1578182 0.94 TRPV1 (0.42) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1578384 0.86 TRPV1 (0.39) TRPV1GRIN2B
SCHEMBL1725351 0.84 TRPV1 (0.42) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1725911 0.83 NAMPT (0.41) SMN1; SMN2TRPV1
SCHEMBL1726251 0.82 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1578543 0.82 TRPV1 (0.41) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4814062 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1578546 0.81 TRPV1 (0.40) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1578587 0.81 GRIN2B (0.39) TRPV1GRIN2BFNTAPGGT1B
SCHEMBL1578462 0.80 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289518-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI (FR) 2012-11-15 US claimed
US-8247404-B2 Derivatives of 2-oxoalkyl-1-piperazin-2-one, preparation method thereof and therapeutic use of same SANOFI (FR) 2012-08-21 US claimed
WO-2011144835-A3 TUBULAR PHOTOVOLTAIC DEVICE FOR PRODUCING ELECTRICAL ENERGY THEROND PATRICK (FR) 2012-05-10 WO claimed
EP-2310383-B1 DERIVATIVES OF 2-OXO-ALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI SA (FR) 2011-11-30 EP claimed
US-20110144122-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-06-16 US claimed
US-20170189522-A1 PHARMACEUTICAL COMBINATIONS FOR IMMUNOTHERAPY TECHNISCHE UNIVERSITAT DRESDEN (DE) 2017-07-06 US disclosed
WO-2015181298-A1 PHARMACEUTICAL COMBINATIONS FOR IMMUNOTHERAPY Technische Universität Dresden (DE) 2015-12-03 WO disclosed
US-20120289518-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI (FR) 2012-11-15 US disclosed
US-8247404-B2 Derivatives of 2-oxoalkyl-1-piperazin-2-one, preparation method thereof and therapeutic use of same SANOFI (FR) 2012-08-21 US disclosed
WO-2011144835-A3 TUBULAR PHOTOVOLTAIC DEVICE FOR PRODUCING ELECTRICAL ENERGY THEROND PATRICK (FR) 2012-05-10 WO disclosed
EP-2310383-B1 DERIVATIVES OF 2-OXO-ALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI SA (FR) 2011-11-30 EP disclosed
US-20110144122-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2310383-A1 DERIVATIVES OF 2-OXO-ALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-20 EP disclosed
WO-2009150387-A1 DERIVATIVES OF 2-OXO-ALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 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 (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-20110144122-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME PKD2, OPRM1, DHFR KMT2A 2396/4885MEN1 2350/4885ALDH1A1 37/4885
US-20120289518-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME PKD2, OPRM1, DHFR KMT2A 2396/4885MEN1 2350/4885ALDH1A1 37/4885
US-20170189522-A1 PHARMACEUTICAL COMBINATIONS FOR IMMUNOTHERAPY TLR9, TLR7, TLR3 KMT2A 3067/4885MEN1 3148/4885ALDH1A1 4437/4885

“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.