SCHEMBL528211

SCHEMBL528211

CC1(CC(=O)NNc2ccccc2)OCCO1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
LMNA P02545 3/20 0.54
ALOX5 P09917 2/20 0.51
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 7/20 0.43
PTGS2 P35354 1/20 0.41
CRHR1 P34998 1/20 0.41
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
P2RX7 Q99572 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL11416924 0.73 ALOX5 (0.65) LMNAALOX5CYP3A4TSHRSMN1; SMN2
SCHEMBL5762149 0.72 MMP9 (0.47) MAPK1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL13042440 0.72 ALOX5 (0.68) LMNAALOX5CYP3A4TSHRSMN1; SMN2
SCHEMBL1531488 0.71 ALOX5 (0.72) LMNAALOX5CYP3A4TSHRSMN1; SMN2
SCHEMBL10117829 0.70 ALOX5 (0.71) LMNAALOX5CYP3A4TSHRSMN1; SMN2
SCHEMBL21055737 0.69 ALOX5 (0.63) LMNAALOX5CYP3A4TSHRSMN1; SMN2
SCHEMBL16248372 0.69 SMN1; SMN2 (0.43) MAPK1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10117718 0.69 ALOX5 (0.53) LMNAALOX5CYP3A4TSHRSMN1; SMN2
SCHEMBL5442321 0.69 SMN1; SMN2 (0.54) MAPK1LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL588131 0.68 ALOX5 (1.00) LMNAALOX5CYP3A4TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035070-B2 Process for the preparation of 1-aryl-pyrazol-3-one intermediates useful in the synthesis of sigma receptors inhibitors Esteve Química, S.A. (ES) 2015-05-19 US disclosed
EP-2598469-B1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS ESTEVE QUÍMICA S A (ES) 2014-07-23 EP disclosed
US-20130184472-A1 Process for the Preparation of 1-ARYL-PYRAZOL-3-ONE Intermediates Useful in the Synthesis of SIGMA Receptors Inhibitors ESTEVE QUIMICA, S.A. (ES) 2013-07-18 US disclosed
EP-2598469-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS Esteve Química, S.A. (ES) 2013-06-05 EP disclosed
EP-2418192-A1 Intermediates for the preparation of 1-aryl-pyrazol-3-one compounds useful as sigma receptors inhibitors Esteve Química, S.A. (ES) 2012-02-15 EP disclosed
WO-2012013755-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS Esteve Química, S.A. (ES) 2012-02-02 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-20130184472-A1 Process for the Preparation of 1-ARYL-PYRAZOL-3-ONE Intermediates Useful in the Synthesis of SIGMA Receptors Inhibitors SIGMAR1, OPRK1, OPRM1 MAPK1 329/4885LMNA 3362/4885ALOX5 3115/4885

“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.