SCHEMBL3511908

SCHEMBL3511908

Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
NPSR1 Q6W5P4 6/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 7/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 3/20 0.55
NR2E1 Q9Y466 1/20 0.54
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CACNA2D1 P54289 2/20 0.51
CACNA1B Q00975 2/20 0.51
CACNB1 Q02641 2/20 0.51
CACNA1C Q13936 2/20 0.51
CACNA1H O95180 1/20 0.51
NOD2 Q9HC29 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL5011461 0.93 CACNA2D1 (0.57) MAOBNPSR1MAPTKMT2AALDH1A1
SCHEMBL5721835 0.83 MAOB (0.59) MAOBNPSR1MAPTKMT2AALDH1A1
SCHEMBL12121366 0.81 HRH3 (0.60) ALDH1A1HPGD
SCHEMBL2142414 0.79 CYP3A4 (0.45) MAOBNPSR1MAPTKMT2AALDH1A1
SCHEMBL9327563 0.78 ALDH1A1 (0.71) MAOBNPSR1MAPTKMT2AALDH1A1
SCHEMBL13994898 0.78 CACNA2D1 (0.60) MAOBMAPTKMT2AALDH1A1TSHR
SCHEMBL16599230 0.77 HRH4 (0.67) MAOBNPSR1MAPTKMT2AL3MBTL1
SCHEMBL17954144 0.77 HRH4 (0.56) MAOBNPSR1MAPTKMT2AALDH1A1
SCHEMBL17954147 0.77 HRH4 (0.56) MAOBNPSR1MAPTKMT2AALDH1A1
SCHEMBL12121414 0.76 HPGD (0.62) ALDH1A1L3MBTL1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145547-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM Fondazione Istituto Firc di Oncologia Molecolare (IT) 2017-03-29 EP claimed
CN-106535937-A Methods and compositions for the treatment of vascular malformation 意大利癌症研究基金会分子肿瘤学研究所(IFOM) 2017-03-22 CN claimed
US-20170027896-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2017-02-02 US claimed
WO-2015155335-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2015-10-15 WO claimed
US-20100292170-A1 METHODS FOR DIAGNOSING AND TREATING PELVIC PAIN DISORDERS VIA BETA-CATENIN UNIVERSITY OF ROCHESTER (US) 2010-11-18 US claimed
WO-2009061847-A2 METHODS FOR DIAGNOSING AND TREATING PELVIC PAIN DISORDERS VIA BETA-CATENIN UNIVERSITY OF ROCHESTER (US) 2009-05-14 WO claimed
US-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin PHARMACIA ITALIA S.P.A. (IT) 2004-10-14 US claimed
EP-1406889-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN Pharmacia Italia S.p.A. (IT) 2004-04-14 EP claimed
WO-2003006447-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN PHARMACIA ITALIA SPA (IT) 2003-01-23 WO claimed
EP-3145547-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM Fondazione Istituto Firc di Oncologia Molecolare (IT) 2017-03-29 EP disclosed
CN-106535937-A Methods and compositions for the treatment of vascular malformation 意大利癌症研究基金会分子肿瘤学研究所(IFOM) 2017-03-22 CN disclosed
US-20170027896-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2017-02-02 US disclosed
WO-2015155335-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2015-10-15 WO disclosed
US-8415108-B2 Methods for diagnosing interstitial cystitis via nuclear localization of beta-catenin UNIVERSITY OF ROCHESTER (US) 2013-04-09 US disclosed
US-20100292170-A1 METHODS FOR DIAGNOSING AND TREATING PELVIC PAIN DISORDERS VIA BETA-CATENIN UNIVERSITY OF ROCHESTER (US) 2010-11-18 US disclosed
WO-2009061847-A2 METHODS FOR DIAGNOSING AND TREATING PELVIC PAIN DISORDERS VIA BETA-CATENIN UNIVERSITY OF ROCHESTER (US) 2009-05-14 WO disclosed
US-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin PHARMACIA ITALIA S.P.A. (IT) 2004-10-14 US disclosed
EP-1406889-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN Pharmacia Italia S.p.A. (IT) 2004-04-14 EP disclosed
WO-2003006447-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN PHARMACIA ITALIA SPA (IT) 2003-01-23 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-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin TCF4, TCF7, TCF7L2 MAOB 3240/4885NPSR1 4507/4885MAPT 3189/4885

“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.