SCHEMBL659344

SCHEMBL659344

COc1ccc(C2CNCCN2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
ADRB1 P08588 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2C P28335 5/20 0.41
HTR2B P41595 4/20 0.41
MAPK1 P28482 1/20 0.40
HTR6 P50406 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL6026785 0.81 ADRB1 (0.43) MAOAADRB1HTR2CHTR6CHRNA7
SCHEMBL5734703 0.81 KDM4E (0.41) MAOAKDM4EHTR2CHTR2B
SCHEMBL658173 0.80 PDE4B (0.46) HTR2CHTR2BHTR2A
SCHEMBL7400548 0.80 MAOB (0.39) MAOAHTR2CHTR2BHTR2ACHRNA7
SCHEMBL8318967 0.80 ADRB2 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3279337 0.80 CHRNB2 (0.36) KDM4EADRA2CCHRNA7
SCHEMBL27326756 0.80 HTR3A (0.47) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL18913839 0.80 CHRNB2 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1579434 0.80 CHRNB2 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3976295 0.80 CHRNB2 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-20130005710-A1 AMINOPYRIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-03 US disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
EP-2502909-A1 AMINOPYRIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-09-26 EP disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
CN-1056842-C Amino acid derivative having anti CCK activity TOBISHI PHARMACEUTICAL CO (JP) 2000-09-27 CN disclosed
CN-1121515-A Amino acid derivative having anti CCK activity TOBISHI PHARMACEUTICAL CO (JP) 1996-05-01 CN 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAOA 1322/4885ADRB1 294/4885HTR3E 606/4885
US-20130005710-A1 AMINOPYRIDINE DERIVATIVE DCX, NR0B1, NR4A1 MAOA 703/4885ADRB1 126/4885HTR3E 1569/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 MAOA 1322/4885ADRB1 294/4885HTR3E 606/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAOA 1322/4885ADRB1 294/4885HTR3E 606/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 MAOA 1794/4885ADRB1 241/4885HTR3E 2342/4885

“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.