SCHEMBL459462

SCHEMBL459462

O=[N+]([O-])C=Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ TLR4 O00206 8/20 0.54
▸ TLR2 O60603 8/20 0.54
▸ FBP1 P09467 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ VCP P55072 1/20 0.49
▸ IDO1 P14902 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RXRA P19793 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ NFE2L2 Q16236 2/20 0.44

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
SCHEMBL459461 1.00 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL229329 0.75 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9394256 0.75 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL229328 0.75 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31560044 0.75 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25013797 0.74 VCP (0.51) RAB9AKMT2ATLR4TLR2FBP1
SCHEMBL30272444 0.74 VCP (0.51) RAB9AKMT2ATLR4TLR2FBP1
Nitric Acid SCHEMBL28135270 0.73 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9058120 0.73 NPC1 (0.70) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9805966 0.73 NPC1 (0.70) NPC1RAB9AMEN1KMT2AATM

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
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 — — EP disclosed
US-10246414-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2019-04-02 — — US disclosed
EP-2800569-B1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS UNIV NORTHEASTERN (US) 2018-07-25 — — EP disclosed
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2017-07-13 — — US disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 — — US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 — — US disclosed
US-9556118-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2017-01-31 — — US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 — — EP disclosed
US-20150005346-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY 2015-01-01 — — US disclosed
US-8890131-B2 Deuterated compounds for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 — — US disclosed
EP-2800569-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS Northeastern University (US) 2014-11-12 — — EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 — — WO disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 — — US disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 — — US disclosed
WO-2013103967-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY (US) 2013-07-11 — — WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 — — WO disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 — — US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 — — US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 — — EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A NPC1 2808/4885RAB9A 657/4885MEN1 885/4885
US-20150005346-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS CNR1, CNR2, GPR18 NPC1 1593/4885RAB9A 961/4885MEN1 4653/4885
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 NPC1 503/4885RAB9A 3327/4885MEN1 3122/4885
US-10246414-B2 Allosteric modulators of CB1 cannabinoid receptors CNR1, CNR2, GPR18 NPC1 1593/4885RAB9A 961/4885MEN1 4653/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 NPC1 503/4885RAB9A 3327/4885MEN1 3122/4885
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors CNR1, CNR2, GPR18 NPC1 1593/4885RAB9A 961/4885MEN1 4653/4885

“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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