SCHEMBL227611

SCHEMBL227611

CN(C(=O)CCl)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MITF O75030 1/20 0.49
PAX8 Q06710 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
FAAH O00519 1/20 0.44
PHGDH O43175 1/20 0.44
MGLL Q99685 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
NPBWR1 P48145 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL224402 0.96 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL226831 0.89
SCHEMBL7129642 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL10723835 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL9368480 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5143783 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5143781 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL6608940 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13673385 0.80 CHRM1 (0.44) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL227602 0.80 PIK3CD (0.42) ALDH1A1KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-9119853-B2 Sanglifehrin based compounds NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-01 US disclosed
US-9119853-B2 Sanglifehrin based compounds NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-01 US disclosed
EP-2533784-B1 SANGLIFEHRIN BASED COMPOUNDS NEUROVIVE PHARMACEUTICAL AB (SE) 2015-04-22 EP disclosed
CN-102316732-B Azepino [4, 5-b] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2015-04-01 CN disclosed
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-31 US disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 WO disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
US-5220023-A Intermediates for inotropic agents JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-15 US disclosed
US-5120845-A Treating congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1992-06-09 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
US-5043327-A Treating mammals with congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-27 US 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-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 ALDH1A1 1048/4885KMT2A 1524/4885MEN1 2100/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 ALDH1A1 1048/4885KMT2A 1524/4885MEN1 2100/4885

“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.