SCHEMBL6775787

SCHEMBL6775787

COc1ccccc1OCC(O)CN(CCNC(=O)OC(C)(C)C)C(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD2 P14416 5/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ CASR P41180 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37

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
SCHEMBL27098253 0.73 TSHR (0.42) ADRB2HTR1ALMNACYP1A2SMN1; SMN2
SCHEMBL2830568 0.73 MTNR1A (0.67) LMNADRD2KMT2AHSD17B10MTNR1A
SCHEMBL3514820 0.72 MTNR1A (0.61) LMNASMN1; SMN2DRD2KMT2AHSD17B10
SCHEMBL1643653 0.68 MEN1 (0.45) ADRB2HTR1ACKS1BSKP1SKP2
SCHEMBL15189256 0.68 NPC1 (0.52) LMNASMN1; SMN2CKS1BSKP1SKP2
SCHEMBL25496763 0.67 DRD2 (0.56) DRD2MEN1KMT2A
SCHEMBL22137526 0.67 TDP1 (0.43) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL19423125 0.67 EPHX2 (0.56) LMNAKDM4ESMN1; SMN2DRD2MEN1
Oxalic Acid SCHEMBL7276233 0.67 LMNA (0.51) HTR1ALMNACYP1A2KDM4ESMN1; SMN2
SCHEMBL8401489 0.67 AKT1 (0.47) CKS1BSKP1SKP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677336-B2 PARTIAL FATTY ACID OXIDATION INHIBITORS; PROTECT SKELETAL MUSCLES AGAINST DAMAGE RESULTING FROM TRAUMA OR SYSTEMIC DISEASES, TREAT SHOCK CONDITIONS, PRESERVE DONOR TISSUE AND ORGANS USED IN TRANSPLANTS CV THERAPEUTICS, INC. 2004-01-13 — — US disclosed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 — — EP disclosed
US-20020016463-A1 Substituted piperazine compounds CV THERAPEUTICS, INC. 2002-02-07 — — US disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 — — 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-20020016463-A1 Substituted piperazine compounds ATP2A1, CPT1B, TNNC1 ADRB2 135/4885HTR1A 4573/4885LMNA 2617/4885

“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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