SCHEMBL6829975

SCHEMBL6829975

COCCOCCOCC(=O)N1CCCCC1C(=O)NCCCCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FKBP1A P62942 3/20 0.40
▸ FKBP5 Q13451 2/20 0.40
▸ EPHX2 P34913 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TPSAB1 Q15661 2/20 0.36
▸ TPSD1 Q9BZJ3 2/20 0.36
▸ TPSG1 Q9NRR2 2/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ PRCP P42785 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
SCHEMBL6827578 1.00 POLB (0.44) POLBTSHRNPSR1FKBP1AFKBP5
SCHEMBL6830489 1.00 POLB (0.44) POLBTSHRNPSR1FKBP1AFKBP5
SCHEMBL6830216 0.97 POLB (0.45) POLBTSHRNPSR1EPHX2CYP3A4
SCHEMBL6831054 0.97 POLB (0.45) POLBTSHRNPSR1EPHX2CYP3A4
SCHEMBL6827882 0.97 POLB (0.45) POLBTSHRNPSR1EPHX2CYP3A4
SCHEMBL6830930 0.89 POLB (0.41) POLBTSHRNPSR1FKBP1AFKBP5
SCHEMBL6830137 0.86 POLB (0.42) POLBTSHRNPSR1CYP3A4DPP4
SCHEMBL6830939 0.81 HDAC8 (0.37) EPHX2CYP3A4GNAI3GNAO1GNAI1
SCHEMBL6830913 0.81 HDAC8 (0.37) EPHX2CYP3A4GNAI3GNAO1GNAI1
SCHEMBL6830054 0.81 HDAC8 (0.37) EPHX2CYP3A4GNAI3GNAO1GNAI1

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
US-6770656-B2 NEURODEGENERATIVE DISORDERS; ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; INFERTILITY, CARDIOVASCULAR DISORDERS, RENAL HYPOXIA, HEPATITIS AND AIDS TREATMENT APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-08-03 — — US claimed
US-20030216427-A1 Amine derivatives for the treatment of apoptosis MERCK SERONO SA (CH) 2003-11-20 — — US claimed
EP-1125925-A1 Amine derivatives for the treatment of apoptosis Applied Research Systems ARS Holding N.V. (AN) 2001-08-22 — — EP claimed
US-6770656-B2 NEURODEGENERATIVE DISORDERS; ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; INFERTILITY, CARDIOVASCULAR DISORDERS, RENAL HYPOXIA, HEPATITIS AND AIDS TREATMENT APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-08-03 — — US disclosed
US-20030216427-A1 Amine derivatives for the treatment of apoptosis MERCK SERONO SA (CH) 2003-11-20 — — US disclosed
EP-1263730-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS Applied Research Systems ARS Holding N.V. (AN) 2002-12-11 — — EP disclosed
WO-2001060798-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-08-23 — — WO disclosed
EP-1125925-A1 Amine derivatives for the treatment of apoptosis Applied Research Systems ARS Holding N.V. (AN) 2001-08-22 — — EP 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-20030216427-A1 Amine derivatives for the treatment of apoptosis BAD, BAX, BCL2 POLB 1144/4885TSHR 3662/4885NPSR1 2303/4885

“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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