SCHEMBL6715418

SCHEMBL6715418

COc1cc(C)ccc1OCCc1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.49
HTR2C P28335 7/20 0.49
L3MBTL1 Q9Y468 8/20 0.41
MAPT P10636 7/20 0.41
HPGD P15428 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 2/20 0.38
HTR3A P46098 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL6718270 0.90 HTR2C (0.52) HTR2AHTR2CMAPTNPC1RAB9A
SCHEMBL6710930 0.89 HTR2C (0.46) HTR2AHTR2CKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL6718740 0.89 HTR2C (0.51) HTR2AHTR2CMAPTNPC1RAB9A
SCHEMBL6715243 0.81 ALDH1A1 (0.45) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL6713867 0.80 HTR2C (0.46) HTR2AHTR2CPOLBCYP1A2HTR1A
SCHEMBL6719333 0.79 HTR2C (0.55) HTR2AHTR2CL3MBTL1NPC1RAB9A
SCHEMBL6711132 0.79 HTR2C (0.49) HTR2AHTR2CL3MBTL1MAPTKDM4E
SCHEMBL6711275 0.79 HTR2A (0.53) HTR2AHTR2CKDM4EHTR1AMAPK1
SCHEMBL6712349 0.72 HTR2A (0.59) HTR2AHTR2CL3MBTL1MAPTKDM4E
SCHEMBL6711086 0.72 HTR2A (0.59) HTR2AHTR2CHPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds ENNIS MICHAEL DALTON (US) 2004-10-21 US claimed
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US claimed
EP-1328525-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-23 EP claimed
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 US claimed
WO-2001072752-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2001-10-04 WO claimed
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds ENNIS MICHAEL DALTON (US) 2004-10-21 US disclosed
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US disclosed
EP-1328525-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-23 EP disclosed
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 US disclosed
WO-2001072752-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2001-10-04 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 (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-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HTR1D, HTR1A, HTR1E HTR2A 18/4885HTR2C 7/4885L3MBTL1 3372/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885L3MBTL1 1276/4885

“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.