SCHEMBL362471

SCHEMBL362471

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 4/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CNR1 P21554 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ OPRK1 P41145 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
SCHEMBL362472 1.00 TBXAS1 (0.35) TBXAS1NPC1RAB9AMEN1KMT2A
SCHEMBL363049 0.86 PKM (0.33) NPC1RAB9APKMHRH1
SCHEMBL363313 0.85 RAB9A (0.34) NPC1RAB9AMEN1KMT2ACNR1
SCHEMBL363312 0.85 RAB9A (0.34) NPC1RAB9AMEN1KMT2ACNR1
SCHEMBL15110756 0.85 LTB4R (0.39) NPC1RAB9ACNR1KDM4EGAA
SCHEMBL360807 0.85 LTB4R (0.39) NPC1RAB9ACNR1KDM4EGAA
SCHEMBL29482125 0.85 LTB4R (0.39) NPC1RAB9ACNR1KDM4EGAA
SCHEMBL15110410 0.85 LTB4R (0.39) NPC1RAB9ACNR1KDM4EGAA
SCHEMBL361200 0.85 LTB4R (0.39) NPC1RAB9ACNR1KDM4EGAA
SCHEMBL15110832 0.84 PKM (0.33) NPC1RAB9ACNR1KDM4EPKM

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 TBXAS1 219/4885NPC1 3537/4885RAB9A 1600/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR TBXAS1 219/4885NPC1 3537/4885RAB9A 1600/4885

“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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