SCHEMBL30056

SCHEMBL30056

O=C(c1c[nH]c2ccccc12)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.56
GABRG2 P18507 3/20 0.56
GABRB3 P28472 3/20 0.56
GABRA3 P34903 3/20 0.56
GABRA2 P47869 3/20 0.56
GABRB2 P47870 3/20 0.56
PREP P48147 3/20 0.53
ALOX5 P09917 1/20 0.53
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
CTRB1 P17538 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL8209315 1.00 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30055 1.00 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8791674 0.98 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8790416 0.97 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9096188 0.94 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30053426 0.90 NPSR1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30877842 0.90 NPSR1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8208547 0.90 NPSR1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8208549 0.90 NPSR1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30053580 0.90 NPSR1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
CN-1142140-C Acylation method ������ҩ�����޹�˾ 2004-03-17 CN disclosed
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP disclosed
CN-1290697-A Acylation method PFIZER (US) 2001-04-11 CN disclosed
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
US-5886008-A 5-arylindole derivatives PFIZER INC. (US) 1999-03-23 US disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 US disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 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 (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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 GABRA1 2169/4885GABRG2 2437/4885GABRB3 2092/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 GABRA1 2071/4885GABRG2 2490/4885GABRB3 2041/4885

“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.