SCHEMBL548607

SCHEMBL548607

O=C(O)c1cn(CCN2CCCCC2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.70
CNR1 P21554 8/20 0.70
PLK1 P53350 3/20 0.69
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
GFER P55789 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL9340471 1.00 CNR2 (0.70) CNR2CNR1PLK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2035939 0.99 CNR2 (0.68) CNR2CNR1PLK1ALDH1A1KDM4E
SCHEMBL12643110 0.99 CNR2 (0.69) CNR2CNR1PLK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2041733 0.97 CNR2 (0.67) CNR2CNR1PLK1ALDH1A1KDM4E
SCHEMBL9540544 0.92 PLK1 (0.66) CNR2CNR1PLK1ALDH1A1KDM4E
SCHEMBL9344335 0.92 PLK1 (0.66) CNR2CNR1PLK1ALDH1A1KDM4E
SCHEMBL6870502 0.90 CNR1 (0.71) CNR2CNR1
SCHEMBL12168494 0.88 CNR1 (0.70) CNR2CNR1
SCHEMBL2045110 0.84 CNR2 (0.64) CNR2CNR1PLK1ALDH1A1KDM4E
SCHEMBL9340446 0.83 IDO1 (0.51) CNR2CNR1PLK1MEN1KMT2A

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 29 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-1307184-A2 DRUGS FOR INCONTINENCE NICOX S.A. (FR) 2003-05-07 EP claimed
WO-2002011707-A2 DRUGS FOR INCONTINENCE NICOX S.A. (FR) 2002-02-14 WO claimed
EP-2305213-B1 The treatment of small intestinal bacterial overgrowth (SIBO) and SIBO-related conditions CEDARS SINAI MEDICAL CENTER (US) 2017-06-28 EP disclosed
EP-2267445-B1 Methods of detecting small intestinal bacterial overgrowth (SIBO) in a human subject CEDARS SINAI MEDICAL CENTER (US) 2016-08-17 EP disclosed
US-20150306190-A1 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS-SINAI MEDICAL CENTER (US) 2015-10-29 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
EP-1385476-A4 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS SINAI MEDICAL CENTER (US) 2006-06-14 EP disclosed
US-7048906-B2 Calibration; administering antiseptic compound CEDARS-SINAI MEDICAL CENTER (US) 2006-05-23 US disclosed
US-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia PHARMACIA CORPORATION 2005-04-21 US disclosed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 US disclosed
EP-1385476-A2 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS-SINAI MEDICAL CENTER (US) 2004-02-04 EP disclosed
WO-2002083926-A2 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS-SINAI MEDICAL CENTER (US) 2002-10-24 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 (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-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia TPH2, TPH1, HTR2A CNR2 44/4885CNR1 117/4885PLK1 280/4885
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage TPH2, TPH1, HTR2A CNR2 35/4885CNR1 88/4885PLK1 317/4885
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 CNR2 113/4885CNR1 160/4885PLK1 2339/4885

“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.