SCHEMBL4526192

SCHEMBL4526192

O=C(O)N1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.67
KMT2A Q03164 3/20 0.58
HTT P42858 3/20 0.58
MAPT P10636 6/20 0.58
LMNA P02545 5/20 0.58
FAAH O00519 1/20 0.58
MGLL Q99685 1/20 0.58
ENPP2 Q13822 5/20 0.57
L3MBTL1 Q9Y468 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.52
MITF O75030 1/20 0.52
CCR6 P51684 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR174 Q9BXC1 1/20 0.51

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
SCHEMBL1248698 0.87 GRM5 (0.53) GRM5KMT2AHTTMAPTLMNA
SCHEMBL1248699 0.87 GRM5 (0.53) GRM5KMT2AHTTMAPTLMNA
SCHEMBL1274938 0.87 HTT (0.73) GRM5KMT2AHTTMAPTLMNA
SCHEMBL12890005 0.86 GRM5 (0.62) GRM5KMT2AHTTMAPTLMNA
SCHEMBL28793819 0.83 GRM5 (0.59) GRM5KMT2AHTTMAPTLMNA
SCHEMBL5763109 0.82 ENPP2 (0.58) GRM5KMT2AHTTMAPTLMNA
SCHEMBL3624869 0.82 CTSB (0.69) GRM5KMT2AHTTMAPTLMNA
SCHEMBL16900643 0.82 HTT (0.63) GRM5KMT2AHTTMAPTLMNA
SCHEMBL9391314 0.81 TDP1 (0.67) KMT2AHTTMAPTLMNAL3MBTL1
SCHEMBL4628538 0.81 GRM5 (0.56) GRM5KMT2AHTTMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 WO disclosed
WO-2015107057-A1 SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENYL)ANILINE INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2015-07-23 WO disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed
WO-1995017888-A1 PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1995-07-06 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 (6 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R GRM5 110/4885KMT2A 1330/4885HTT 497/4885
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR GRM5 1200/4885KMT2A 1716/4885HTT 383/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R GRM5 110/4885KMT2A 1330/4885HTT 497/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR GRM5 1200/4885KMT2A 1716/4885HTT 383/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR GRM5 1200/4885KMT2A 1716/4885HTT 383/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR GRM5 1200/4885KMT2A 1716/4885HTT 383/4885

“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.