SCHEMBL361863

SCHEMBL361863

COC(=O)C/C=C/CCCN1CCCc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP3A4 P08684 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ REN P00797 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CNR1 P21554 4/20 0.33
▸ PKM P14618 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL361864 1.00 ALDH1A1 (0.37) ALDH1A1CYP2D6HSD17B10THRBCYP2C9
SCHEMBL361770 0.92 ALDH1A1 (0.36) ALDH1A1CYP2D6HSD17B10THRBCYP2C9
SCHEMBL361771 0.92 ALDH1A1 (0.36) ALDH1A1CYP2D6HSD17B10THRBCYP2C9
SCHEMBL363312 0.90 RAB9A (0.34) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL363313 0.90 RAB9A (0.34) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL15110479 0.83 REN (0.40) ALDH1A1CYP3A4KDM4EHPGDNPC1
SCHEMBL15110418 0.82 PKM (0.38) ALDH1A1CYP2D6HSD17B10CYP2C9CYP3A4
SCHEMBL362471 0.82 TBXAS1 (0.35) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL362472 0.82 TBXAS1 (0.35) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL15110527 0.81 REN (0.35) ALDH1A1CYP2D6HSD17B10THRBCYP2C9

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 ALDH1A1 2869/4885CYP2D6 3965/4885HSD17B10 2778/4885

“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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