SCHEMBL363512

SCHEMBL363512

OCCCCN1CCCc2nc(-c3ccccc3)c(-c3ccccc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ FRK P42685 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PRKD2 Q9BZL6 1/20 0.34

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
SCHEMBL15110590 0.88 MEN1 (0.37) ALDH1A1KDM4ECYP2C9NPSR1MAPT
SCHEMBL361139 0.86 PTGIR (0.45) ALDH1A1KDM4EL3MBTL1MAPTMEN1
SCHEMBL15110501 0.86 MEN1 (0.37) ALDH1A1KDM4ECYP2C9NPSR1MAPT
SCHEMBL362539 0.85 PTGIR (0.47) ALDH1A1KDM4EMAPT
SCHEMBL15800095 0.85 FAAH (0.37) ALDH1A1KDM4ECYP2C9NPSR1MAPT
SCHEMBL363697 0.85 PTGIR (0.47) ALDH1A1KDM4EMAPT
SCHEMBL15800096 0.84 FAAH (0.39) ALDH1A1KDM4EL3MBTL1LMNAMAPT
SCHEMBL15800091 0.84 FAAH (0.39) ALDH1A1KDM4EL3MBTL1LMNAMAPT
SCHEMBL363258 0.82 FAAH (0.35) ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL361592 0.82 PTGIR (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A

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 8 patents. 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
US-9132127-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-09-15 — — US disclosed
US-20140243346-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2014-08-28 — — US disclosed
US-8754085-B2 Pyrido[2,3-b]pyrazine compounds useful as IP receptor agonist NOVARTIS AG (CH) 2014-06-17 — — US 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
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

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-20140243346-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR ALDH1A1 2869/4885HTT 4671/4885KDM4E 3335/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR ALDH1A1 2869/4885HTT 4671/4885KDM4E 3335/4885

“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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