SCHEMBL6876316

SCHEMBL6876316

O=C1C[C@H](Cc2ccccc2)C1(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
EP300 Q09472 1/20 0.39
TLR9 Q9NR96 1/20 0.37
CA2 P00918 1/20 0.37
MAOB P27338 1/20 0.37
CCR3 P51677 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6876311 1.00 HDAC8 (0.40) HDAC8DDB1CRBNEP300TLR9
SCHEMBL583589 0.78 LMNA (0.44) TSHR
SCHEMBL600313 0.76 TSHR (0.40) TSHRALDH1A1KMT2A
SCHEMBL16093667 0.72 ALDH1A1 (0.45) ALDH1A1KMT2A
SCHEMBL14409099 0.70 PSEN1 (0.41) TSHRALDH1A1
SCHEMBL29013938 0.67 DDB1 (0.52) HDAC8DDB1CRBNMAOBTSHR
SCHEMBL20503288 0.67 KDM1A (0.41) MAOB
SCHEMBL21121190 0.67 CRBN (0.44) HDAC8DDB1CRBNCA2MAOB
SCHEMBL4279078 0.66 TLR9 (0.40) HDAC8DDB1CRBNTLR9
SCHEMBL11776789 0.66 GBA1 (0.41) HDAC8DDB1CRBNMAOBTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278728-B1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP disclosed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 US disclosed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 US disclosed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 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-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers GRIN1, GRM1, GRIN2B HDAC8 869/4885DDB1 2357/4885CRBN 753/4885

“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.