SCHEMBL17536018

SCHEMBL17536018

OCc1ccc(OCc2ccccc2)c(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.52
RHEB Q15382 1/20 0.46
PTGER1 P34995 6/20 0.45
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
LIPE Q05469 1/20 0.42
POLB P06746 1/20 0.42
FOLH1 Q04609 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8566032 0.88 CYP4F2 (0.45) S1PR4RHEBPTGER1NPC1NFKB1
SCHEMBL6883736 0.85 MAPK14 (0.43) S1PR4PTGER1NPC1NFKB1RAB9A
SCHEMBL2904391 0.84 ATP4A (0.43) RHEBPTGER1NPC1RAB9ASMN1; SMN2
SCHEMBL8694664 0.83 S1PR4 (0.51) S1PR4RHEBPTGER1NPC1RAB9A
SCHEMBL2026551 0.83 SMN1; SMN2 (0.54) RHEBSMN1; SMN2ATP4AATP4BLIPE
SCHEMBL8695151 0.83 USP28 (0.43) RHEBPTGER1RAB9ASMN1; SMN2ATP4A
SCHEMBL28848218 0.81 MAPT (0.46) PTGER1NPC1NFKB1RAB9ANFKB2
SCHEMBL30522860 0.81 MAPT (0.46) PTGER1NPC1NFKB1RAB9ANFKB2
Hydrochloric Acid SCHEMBL11833848 0.81 SMN1; SMN2 (0.52) RHEBSMN1; SMN2ATP4AATP4BLIPE
SCHEMBL6639600 0.80 MAPT (0.44) PTGER1NPC1NFKB1RAB9ANFKB2

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
US-20240199576-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-20 US disclosed
EP-4313042-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP disclosed
CN-117120053-A Novel cyclopenta [ c ] pyrrole NR2B negative allosteric modulators 诺华股份有限公司 2023-11-24 CN disclosed
WO-2022204337-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2022-09-29 WO disclosed
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 US 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 S1PR4 781/4885RHEB 2830/4885PTGER1 910/4885
US-20240199576-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2C, GRIN2B, GRIN2A S1PR4 1746/4885RHEB 699/4885PTGER1 649/4885

“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.