SCHEMBL1578403

SCHEMBL1578403

O=C(CN1CCN(c2ccccn2)C(=O)C1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SLC11A2 P49281 1/20 0.38
▸ KCNK3 O14649 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
SCHEMBL1578587 0.90 GRIN2B (0.39) HTR7NAMPTCCR2PPARGPPARA
SCHEMBL1578464 0.88 MMP2 (0.40) ALDH1A1SMN1; SMN2MAPTDPP4NAMPT
SCHEMBL1726251 0.86 MAPT (0.46) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL1578462 0.85 MEN1 (0.43) ALDH1A1LMNAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL1578556 0.84 KDM4E (0.40) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL1726712 0.84 CNR1 (0.49) ALDH1A1SMN1; SMN2DPP4NAMPTMEN1
SCHEMBL1578543 0.83 TRPV1 (0.41) ALDH1A1SMN1; SMN2NPSR1MAPTMEN1
SCHEMBL1578546 0.82 TRPV1 (0.40) ALDH1A1SMN1; SMN2NPSR1MAPTNAMPT
SCHEMBL186303 0.82 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10L3MBTL1PDCD1
SCHEMBL1725911 0.81 NAMPT (0.41) SMN1; SMN2NAMPT

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 ALDH1A1 37/4885LMNA 2003/4885HSD17B10 2098/4885
US-20120289518-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME PKD2, OPRM1, DHFR ALDH1A1 37/4885LMNA 2003/4885HSD17B10 2098/4885
US-20170189522-A1 PHARMACEUTICAL COMBINATIONS FOR IMMUNOTHERAPY TLR9, TLR7, TLR3 ALDH1A1 4437/4885LMNA 2984/4885HSD17B10 3943/4885

“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.

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