SCHEMBL3377384

SCHEMBL3377384

COc1ccc(CN2CCCC2)cc1O

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3377350 0.87 GAA (0.67) KDM4ETDP1ALDH1A1GAALMNA
SCHEMBL28290185 0.86 HTT (0.70) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL17994023 0.86 KDM4E (0.60) KDM4ETDP1ALDH1A1GAAMEN1
SCHEMBL4150936 0.86 GAA (0.69) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL16884151 0.85 GAA (0.63) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL28191613 0.83 GAA (0.66) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL29956962 0.81 GAA (0.59) KDM4ETDP1GAAMEN1KMT2A
SCHEMBL8325210 0.81 ALDH1A1 (0.63) ALDH1A1GAA
SCHEMBL1640898 0.81 HTT (0.76) KDM4ETDP1ALDH1A1CYP1A2
SCHEMBL30250231 0.81 NPC1 (0.64) KDM4ETDP1ALDH1A1MEN1KMT2A

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US disclosed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed
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 (3 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-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 KDM4E 3381/4885TDP1 3355/4885ALDH1A1 923/4885
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HTR1D, HTR1A, HTR1E KDM4E 1296/4885TDP1 1517/4885ALDH1A1 192/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 KDM4E 3204/4885TDP1 2681/4885ALDH1A1 3342/4885

“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.