SCHEMBL3522254

SCHEMBL3522254

CCCOc1[c]cc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
CXCL12 P48061 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LTA4H P09960 1/20 0.32
TSHR P16473 1/20 0.31
C3AR1 Q16581 1/20 0.31
FAAH O00519 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL261818 0.91 TSHR (0.40) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL264478 0.84 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL933000 0.83 SQOR (0.32) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL263445 0.81 SMN1; SMN2 (0.36) L3MBTL1TDP1KDM4EALDH1A1TP53
SCHEMBL9721748 0.81 DRD2 (0.31)
SCHEMBL28113400 0.81 KDM4E (0.41) LTA4HKDM4ETP53
SCHEMBL8782085 0.78 ALDH1A1 (0.34) L3MBTL1LTA4HTSHRCA12CA1
SCHEMBL1404319 0.78 LTA4H (0.44) L3MBTL1CYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL159611 0.77 KMT2A (0.35) HTR2CHTR2BL3MBTL1LTA4HCA12
SCHEMBL17046353 0.77 HPGD (0.38) LTA4HCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US claimed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US claimed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP claimed
EP-1682145-A1 1-ALKYLPIPERAZINYL-PYRROLIDIN-2,5-DIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2006-07-26 EP claimed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO claimed
WO-2005037282-A1 1-ALKYLPIPERAZINYL-PYRROLIDIN-2,5-DIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-04-28 WO claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-1737809-B1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC (US) 2013-09-18 EP disclosed
EP-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed
US-7816367-B2 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2010-10-19 US disclosed
CN-101675040-A 2-pyridinecarboxamide derivatives as sodium channel modulators PFIZER LTD 2010-03-17 CN disclosed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 US disclosed
CN-1946666-A Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC (US) 2007-04-11 CN disclosed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP disclosed
WO-2006117760-A1 ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed
US-20060004012-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. 2006-01-05 US disclosed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 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 (5 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-20060004012-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 PTPN7 2506/4885DUSP3 3303/4885HTR2C 2240/4885
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 PTPN7 3313/4885DUSP3 4081/4885HTR2C 222/4885
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A PTPN7 2077/4885DUSP3 3221/4885HTR2C 51/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 PTPN7 2506/4885DUSP3 3303/4885HTR2C 2240/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX PTPN7 1124/4885DUSP3 3690/4885HTR2C 519/4885

“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.