SCHEMBL4679033

SCHEMBL4679033

CC(OC(=O)N1CCNCC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.49
▸ OPRD1 P41143 5/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ACACB O00763 2/20 0.42
▸ MGLL Q99685 1/20 0.41

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
SCHEMBL31024103 0.94 GRIN2B (0.48) GRIN2BSIGMAR1OPRD1HTR6HCAR2
SCHEMBL23850127 0.86 GRIN2B (0.55) GRIN2BHCAR2POLBMEN1KMT2A
SCHEMBL5697155 0.86 GRIN2B (0.55) GRIN2BHCAR2POLBMEN1KMT2A
SCHEMBL30826821 0.84 GRIN2B (0.54) GRIN2BHCAR2POLBMEN1KMT2A
SCHEMBL4678831 0.84 SIGMAR1 (0.51) SIGMAR1OPRD1POLBMEN1KMT2A
SCHEMBL543190 0.82 KCNH2 (0.42) GRIN2BMGLL
SCHEMBL14802593 0.81 GRIN2B (0.60) GRIN2BHCAR2TSHRGAAMGLL
SCHEMBL12551259 0.81 GRIN2B (0.51) GRIN2BHCAR2TSHRGAAACACB
SCHEMBL12139917 0.78 MEN1 (0.51) OPRD1HTR6MEN1KMT2AGAA
SCHEMBL17593431 0.78 SIGMAR1 (0.45) SIGMAR1OPRD1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118475580-A Platelet-derived growth factor receptor (PDGFR) alpha inhibitors and uses thereof 普罗根托斯治疗公司 2024-08-09 — — CN disclosed
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 — — EP disclosed
CN-1277824-C Piperazine derivatives HOFFMANN LA ROCHE (CH) 2006-10-04 — — CN disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 — — US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 — — US disclosed
CN-1533382-A Piperazine derivatives - 2004-09-29 — — CN disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 — — EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 — — US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 — — 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 GRIN2B 668/4885SIGMAR1 27/4885OPRD1 75/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 GRIN2B 668/4885SIGMAR1 27/4885OPRD1 75/4885

“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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