SCHEMBL361285

SCHEMBL361285

CCOC(=O)CCCCCCCN1CCCc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.46
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ REN P00797 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EP300 Q09472 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL361568 1.00 FAAH (0.46) FAAHMAPTALDH1A1RENCYP3A4
SCHEMBL15110439 1.00 FAAH (0.46) FAAHMAPTALDH1A1RENCYP3A4
SCHEMBL363108 0.96 FAAH (0.50) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL15110475 0.96 FAAH (0.43) FAAHMAPTALDH1A1RENCYP3A4
SCHEMBL361686 0.96 FAAH (0.50) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL362325 0.95 FAAH (0.43) FAAHMAPTALDH1A1RENCYP3A4
SCHEMBL360586 0.95 FAAH (0.43) FAAHMAPTALDH1A1RENCYP3A4
SCHEMBL15106355 0.94 FAAH (0.48) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL360592 0.93 FAAH (0.43) FAAHMAPTALDH1A1RENCYP3A4
SCHEMBL15110263 0.93 FAAH (0.41) FAAHMAPTALDH1A1RENCYP3A4

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 FAAH 1419/4885MAPT 4884/4885ALDH1A1 2869/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR FAAH 1419/4885MAPT 4884/4885ALDH1A1 2869/4885

“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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