SCHEMBL4045222

SCHEMBL4045222

CCOC(=O)c1[nH]c2cc(Cl)ccc2c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 15/20 0.69
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58
TUBA3E Q6PEY2 1/20 0.58
TUBA1A Q71U36 1/20 0.58
TUBA1C Q9BQE3 1/20 0.58
TUBB6 Q9BUF5 1/20 0.58
TUBB2B Q9BVA1 1/20 0.58
TUBB1 Q9H4B7 1/20 0.58
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
XBP1 P17861 1/20 0.55

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
SCHEMBL3277185 0.90 TUBB4A (0.67) ALOX15TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3029308 0.85 ALOX15 (0.74) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL4042096 0.85 ALOX15 (0.74) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL8793660 0.84 ALOX15 (0.85) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL14174311 0.83 ALOX15 (0.70) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL26213307 0.83 ALOX15 (0.70) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL4358217 0.82 ALOX15 (0.81) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL2342953 0.81 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4573082 0.81 ALOX15 (0.67) ALOX15
SCHEMBL469602 0.81 ALOX15 (1.00) ALOX15

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-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 ALOX15 1001/4885TUBB4A 4639/4885TUBB 4643/4885

“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.