SCHEMBL214703

SCHEMBL214703

[CH2]CCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
HRH3 Q9Y5N1 3/20 0.51
APP P05067 1/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 3/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL11360661 0.90 HRH3 (0.54) KDM4ESMN1; SMN2HRH3APPRAB9A
SCHEMBL21633733 0.88 HRH3 (0.54) KDM4ESMN1; SMN2HRH3APPRAB9A
SCHEMBL8778552 0.86 HRH3 (0.56) KDM4ESMN1; SMN2HRH3APPRAB9A
SCHEMBL22248702 0.85 HRH3 (0.62) KDM4ESMN1; SMN2HRH3APPRAB9A
SCHEMBL20234326 0.85 HRH3 (0.61) KDM4ESMN1; SMN2HRH3APPRAB9A
SCHEMBL3141888 0.83 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2HRH3APPRAB9A
SCHEMBL22248703 0.83 HRH3 (0.65) KDM4ESMN1; SMN2HRH3APPRAB9A
SCHEMBL18222955 0.82 KMT2A (0.50) KDM4ESMN1; SMN2HRH3APPRAB9A
SCHEMBL1535645 0.82 KDM4E (0.53) KDM4ESMN1; SMN2HRH3APPRAB9A
SCHEMBL9593021 0.81 HRH3 (0.57) KDM4ESMN1; SMN2HRH3APPRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
EP-0548285-B1 FUNGICIDAL 3,3-BIS[ALKYLTHIO]-2-PYRIDYLACRYLIC ACID DERIVATIVES UNIROYAL CHEM CO INC (US) 1995-10-18 EP claimed
EP-0548285-A1 FUNGICIDAL 3,3-BISTHIOALKYL-2-PYRIDYLACRYLIC ACID DERIVATIVES. UNIROYAL CHEM CO INC (US) 1993-06-30 EP claimed
WO-1992005155-A1 FUNGICIDAL 3,3-BISTHIOALKYL-2-PYRIDYLACRYLIC ACID DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-04-02 WO claimed
US-5061716-A PHYTOPATHOGENS UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-10-29 US claimed
US-8088878-B2 Hydrosilylation reactions activated through radiation WACKER CHEMIE AG (DE) 2012-01-03 US disclosed
EP-2238145-B1 HYDROSILYLATION REACTIONS ACTIVATED THROUGH RADIATION WACKER CHEMIE AG (DE) 2011-08-24 EP disclosed
US-7842771-B2 Self-adhesive addition-crosslinking silicone compositions WACKER CHEMIE AG (DE) 2010-11-30 US disclosed
US-5061716-A PHYTOPATHOGENS UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-10-29 US disclosed
EP-0227640-A1 Polyolefins stabilised by bis-(polyalkylpiperidinyl-amino)-1,3,5-triazines CIBA-GEIGY AG (CH) 1987-07-01 EP disclosed
EP-0107615-A1 Polyolefins stabilized by bis or tris (polyalkylpiperidinyl-amino) 1,3,5-triazines CIBA-GEIGY AG (CH) 1984-05-02 EP 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 (4 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885SMN1; SMN2 1296/4885HRH3 303/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885SMN1; SMN2 1106/4885HRH3 260/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885SMN1; SMN2 1296/4885HRH3 303/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885SMN1; SMN2 1106/4885HRH3 260/4885

“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.