SCHEMBL360868

SCHEMBL360868

COC(=O)CCCN1CCCc2nc(-c3ccccc3)c(-c3ccccc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.45
▸ REN P00797 3/20 0.43
▸ CYP3A4 P08684 2/20 0.41
▸ LTB4R Q15722 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 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
SCHEMBL361770 0.86 ALDH1A1 (0.36) FAAHRENCYP3A4ALDH1A1HPGD
SCHEMBL361771 0.86 ALDH1A1 (0.36) FAAHRENCYP3A4ALDH1A1HPGD
SCHEMBL361701 0.85 FAAH (0.53) FAAHALDH1A1HPGDKDM4ELMNA
SCHEMBL15800095 0.85 FAAH (0.37) FAAHCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL15800096 0.84 FAAH (0.39) FAAHCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL15800091 0.84 FAAH (0.39) FAAHCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL361139 0.84 PTGIR (0.45) FAAHLTB4RALDH1A1KDM4EKMT2A
SCHEMBL363697 0.83 PTGIR (0.47) FAAHLTB4RALDH1A1KDM4ETSHR
SCHEMBL362539 0.83 PTGIR (0.47) FAAHLTB4RALDH1A1KDM4ETSHR
SCHEMBL361686 0.82 FAAH (0.50) FAAHALDH1A1HPGDKDM4ELMNA

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 7 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
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 (1 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 1419/4885REN 687/4885CYP3A4 3334/4885

“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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