SCHEMBL361492

SCHEMBL361492

O=C(O)CC=CCCCN1CCCc2nc(-c3ccccc3)c(-c3ccccc3)nc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.33
▸ PAM P19021 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CNR1 P21554 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 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
SCHEMBL361491 1.00 HPGD (0.33) HPGDPAMALDH1A1MAPTMEN1
SCHEMBL363313 0.91 RAB9A (0.34) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL363312 0.91 RAB9A (0.34) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL361771 0.89 ALDH1A1 (0.36) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL361770 0.89 ALDH1A1 (0.36) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL361139 0.83 PTGIR (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL363697 0.82 PTGIR (0.47) ALDH1A1MAPTKDM4ETSHRCASP1
SCHEMBL362539 0.82 PTGIR (0.47) ALDH1A1MAPTKDM4ETSHRCASP1
SCHEMBL363258 0.82 FAAH (0.35) ALDH1A1MEN1KMT2A
SCHEMBL361863 0.81 ALDH1A1 (0.37) HPGDALDH1A1MEN1KMT2AKDM4E

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 HPGD 534/4885PAM 797/4885ALDH1A1 2869/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR HPGD 534/4885PAM 797/4885ALDH1A1 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.

Send feedback