SCHEMBL2940596

SCHEMBL2940596

COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.94
PMP22 Q01453 2/20 0.94
NPSR1 Q6W5P4 2/20 0.94
MEN1 O00255 2/20 0.94
CYP3A4 P08684 2/20 0.94
KMT2A Q03164 2/20 0.94
LMNA P02545 1/20 0.94
HTR4 Q13639 4/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
GSK3B P49841 1/20 0.47
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HPGD P15428 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
SCHEMBL29385613 1.00 CYP2C9 (0.94) CYP2C9PMP22NPSR1MEN1CYP3A4
SCHEMBL7302574 0.99 CYP2C9 (0.95) CYP2C9PMP22NPSR1MEN1CYP3A4
Hydrochloric Acid SCHEMBL7295175 0.99 CYP2C9 (0.92) CYP2C9PMP22NPSR1MEN1CYP3A4
Maleic Acid SCHEMBL7302318 0.95 CYP2C9 (0.86) CYP2C9PMP22NPSR1MEN1CYP3A4
Fumaric Acid SCHEMBL7302323 0.95 CYP2C9 (0.86) CYP2C9PMP22NPSR1MEN1CYP3A4
SCHEMBL14908005 0.91 CYP2C9 (0.79) CYP2C9PMP22NPSR1MEN1CYP3A4
SCHEMBL7292069 0.91 CYP2C9 (0.78) CYP2C9PMP22NPSR1MEN1CYP3A4
SCHEMBL7300823 0.88 CYP2C9 (0.74) CYP2C9PMP22NPSR1MEN1CYP3A4
SCHEMBL16504002 0.82 CYP2C9 (0.66) CYP2C9PMP22NPSR1MEN1CYP3A4
SCHEMBL7302280 0.82 CYP2C9 (0.66) CYP2C9PMP22NPSR1MEN1CYP3A4

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829028-B2 5-HT4 receptor antagonists for the treatment of heart failure SERODUS AS (NO) 2014-09-09 US claimed
EP-1503764-B1 5-HT4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF HEART FAILURE SERODUS AS (NO) 2010-01-06 EP claimed
US-20090169545-A1 5-HT4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF HEART FAILURE SERODUS AS (NO) 2009-07-02 US claimed
US-20060094715-A1 5-Ht4 receptor antagonists for the treatment of heart failure SERODUS AS (NO) 2006-05-04 US claimed
EP-1503764-A1 5-HT4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF HEART FAILURE MEDINNOVA AS (NO) 2005-02-09 EP claimed
WO-2003097065-A1 5-HT4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF HEART FAILURE MEDINNOVA AS (NO) 2003-11-27 WO claimed
EP-0546593-B1 Multi-layered compositions containing histamine or serotonin antagonists GLAXO GROUP LTD (GB) 1997-09-03 EP claimed
EP-0501322-B1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LTD (GB) 1996-09-04 EP claimed
US-5425950-A Antiserotonine agent GLAXO GROUP LIMITED (GB) 1995-06-20 US claimed
WO-1993014745-A1 USE OF 5-HT4 RECEPTOR ANTAGONISTS AS MEDICAMENTS FOR TREATING MIGRAINE SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO claimed
EP-0546593-A1 Multi-layered compositions containing histamine or serotonin antagonists GLAXO GROUP LIMITED (GB) 1993-06-16 EP claimed
WO-1992014727-A1 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES GLAXO GROUP LIMITED (GB) 1992-09-03 WO claimed
EP-0501322-A1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LIMITED (GB) 1992-09-02 EP claimed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US disclosed
US-10426773-B2 Systems pharmacology for treating ocular disorders CASE WESTERN UNIVERSITY (US) 2019-10-01 US disclosed
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN UNIVERSITY 2019-04-04 US disclosed
WO-1993014745-A1 USE OF 5-HT4 RECEPTOR ANTAGONISTS AS MEDICAMENTS FOR TREATING MIGRAINE SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO disclosed
EP-0546593-A1 Multi-layered compositions containing histamine or serotonin antagonists GLAXO GROUP LIMITED (GB) 1993-06-16 EP disclosed
WO-1992014727-A1 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES GLAXO GROUP LIMITED (GB) 1992-09-03 WO disclosed
EP-0501322-A1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LIMITED (GB) 1992-09-02 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 (3 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-10426773-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B CYP2C9 2438/4885PMP22 2636/4885NPSR1 89/4885
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS GRK1, MTNR1A, MTNR1B CYP2C9 2438/4885PMP22 2636/4885NPSR1 89/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 CYP2C9 4871/4885PMP22 2259/4885NPSR1 1528/4885

“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.