SCHEMBL363312

SCHEMBL363312

Cc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)N(CCC/C=C/CC(=O)O)CCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CNR1 P21554 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM1A O60341 3/20 0.31
▸ PTGIR P43119 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL363313 1.00 RAB9A (0.34) RAB9ANPC1CNR1ALDH1A1MAPT
SCHEMBL361491 0.91 HPGD (0.33) CNR1ALDH1A1MAPTKDM4EHPGD
SCHEMBL361492 0.91 HPGD (0.33) CNR1ALDH1A1MAPTKDM4EHPGD
SCHEMBL361864 0.90 ALDH1A1 (0.37) RAB9ANPC1CNR1ALDH1A1KDM4E
SCHEMBL361863 0.90 ALDH1A1 (0.37) RAB9ANPC1CNR1ALDH1A1KDM4E
SCHEMBL362471 0.85 TBXAS1 (0.35) RAB9ANPC1CNR1ALDH1A1MAPT
SCHEMBL362472 0.85 TBXAS1 (0.35) RAB9ANPC1CNR1ALDH1A1MAPT
SCHEMBL361771 0.84 ALDH1A1 (0.36) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL361770 0.84 ALDH1A1 (0.36) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL15110418 0.84 PKM (0.38) RAB9ANPC1CNR1ALDH1A1MAPT

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 RAB9A 1600/4885NPC1 3537/4885CNR1 118/4885

“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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