SCHEMBL360892

SCHEMBL360892

CC(=O)OC1CCNc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.36
▸ CNR1 P21554 10/20 0.36
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL361601 0.89 ALDH1A1 (0.35) KDM1AKDM4EALDH1A1HPGDGAA
SCHEMBL361474 0.89 ALDH1A1 (0.35) KDM1AKDM4EALDH1A1HPGDGAA
SCHEMBL360642 0.89 ALDH1A1 (0.35) KDM1AKDM4EALDH1A1HPGDGAA
SCHEMBL14877381 0.78 CNR1 (0.33) KDM1ACNR1MAPTKDM4EALDH1A1
SCHEMBL15111310 0.71 GPR119 (0.39) KDM1ATP53KMT2A
SCHEMBL360969 0.69 MEN1 (0.36) KDM1AALDH1A1HTR2BHRH2MEN1
SCHEMBL362762 0.68 LTB4R (0.36) KDM1AMAPTALDH1A1HRH3PTGIR
SCHEMBL10227832 0.67 ALDH1A1 (0.36) CNR1KDM4EALDH1A1HPGDGAA
SCHEMBL34463425 0.65 GSK3B (0.34) KDM4EALDH1A1MEN1KMT2A
SCHEMBL361473 0.64 CKS1B (0.38) ALDH1A1HPGD

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593452-B1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2017-01-18 — — EP disclosed
EP-2593452-B1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2017-01-18 — — EP disclosed
US-9132127-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-09-15 — — US disclosed
US-9132127-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-09-15 — — US disclosed
US-9132127-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-09-15 — — US disclosed
US-9115129-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-08-25 — — US disclosed
US-9115129-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-08-25 — — US disclosed
US-9115129-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-08-25 — — US disclosed
US-20140357642-A1 IP receptor agonist heterocyclic compounds NOVARTIS AG (CH) 2014-12-04 — — US disclosed
US-20140357642-A1 IP receptor agonist heterocyclic compounds NOVARTIS AG (CH) 2014-12-04 — — US disclosed
US-8754085-B2 Pyrido[2,3-b]pyrazine compounds useful as IP receptor agonist NOVARTIS AG (CH) 2014-06-17 — — US disclosed
WO-2013105065-A1 FUSED PIPERIDINES AS IP RECEPTOR AGONISTS FOR THE TREATMENT OF PAH AND RELATED DISORDERS NOVARTIS AG (CH) 2013-07-18 — — WO disclosed
EP-2593452-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS Novartis AG (CH) 2013-05-22 — — EP disclosed
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2013-04-25 — — US disclosed
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2013-04-25 — — US disclosed
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2013-04-25 — — US disclosed
WO-2012007539-A9 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2012-11-01 — — WO disclosed
WO-2012007539-A9 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2012-11-01 — — WO disclosed
WO-2012007539-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2012-01-19 — — WO disclosed
WO-2012007539-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2012-01-19 — — 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-20140357642-A1 IP receptor agonist heterocyclic compounds PTGIR, GPR68, GPR84 KDM1A 3108/4885CNR1 103/4885MAPT 4884/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR KDM1A 2931/4885CNR1 118/4885MAPT 4884/4885

“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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