SCHEMBL4813898

SCHEMBL4813898

O=C(O)N1CCN(c2cccnn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.66
TRPV1 Q8NER1 2/20 0.55
NAMPT P43490 2/20 0.51
RIPK1 Q13546 1/20 0.49
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.44
ADRB2 P07550 1/20 0.44
GRM5 P41594 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL27702525 0.88 SLC6A7 (0.63) SLC6A7TRPV1NAMPTRIPK1ALDH1A1
SCHEMBL2011822 0.81 SLC6A7 (0.56) SLC6A7TRPV1NAMPTRIPK1ALDH1A1
SCHEMBL3435449 0.80 SLC6A7 (0.55) SLC6A7TRPV1NAMPTRIPK1ALDH1A1
SCHEMBL3578309 0.80 SLC6A7 (1.00) SLC6A7NAMPTALDH1A1KDM4EHPGD
SCHEMBL20798063 0.80 SLC6A7 (0.48) SLC6A7TRPV1NAMPTRIPK1ALDH1A1
SCHEMBL9557855 0.79 SLC6A7 (0.52) SLC6A7TRPV1NAMPTRIPK1GRM5
SCHEMBL5317667 0.78 SLC6A7 (0.53) SLC6A7TRPV1NAMPTRIPK1KDM4E
SCHEMBL20140603 0.78 TRPV1 (0.57) SLC6A7TRPV1ALDH1A1LMNA
SCHEMBL29473497 0.78 TRPV1 (0.57) SLC6A7TRPV1ALDH1A1LMNA
SCHEMBL5317665 0.78 SLC6A7 (0.53) SLC6A7TRPV1NAMPTRIPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
US-7119086-B2 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2006-10-10 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1419150-B1 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2005-04-27 EP disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
US-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2004-09-16 US disclosed
EP-1419150-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2004-05-19 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003008407-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2003-01-30 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-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 SLC6A7 661/4885TRPV1 1002/4885NAMPT 994/4885
US-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use AVPR2, AVPR1A, AVPR1B SLC6A7 148/4885TRPV1 15/4885NAMPT 4350/4885

“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.