SCHEMBL6042407

SCHEMBL6042407

Fc1ccc(C2=C(Cc3ccccc3)CN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
ACHE P22303 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRA2 P47869 1/20 0.43
TACR1 P25103 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PNMT P11086 1/20 0.43
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
RAB9A P51151 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42

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
SCHEMBL6043161 0.82 ACHE (0.48) ABCB1ACHEGABRA1GABRA2TACR1
SCHEMBL3008719 0.76 MEN1 (0.46) GABRA1GABRA2TACR1KMT2AMEN1
Hydrochloric Acid SCHEMBL1973926 0.75 KDM4E (0.47) GABRA1GABRA2TACR1KMT2AMEN1
SCHEMBL17474558 0.73 CHRM5 (0.65)
SCHEMBL17984145 0.72 KMT2A (0.54) ABCB1GABRA1GABRA2KMT2ATSHR
SCHEMBL10850148 0.72 ACHE (0.52) ABCB1ACHEGABRA1GABRA2KMT2A
SCHEMBL6042794 0.72 ALDH1A1 (0.43) KMT2AMAPK1PNMTMEN1
SCHEMBL300664 0.72 HTR2A (0.64) GABRA1GABRA2
SCHEMBL2395917 0.71 MAPK1 (0.69) KMT2AMAPK1MEN1
Hydrochloric Acid SCHEMBL183260 0.71 HTR2A (0.62) GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ABCB1 1575/4885ACHE 1285/4885GABRA1 276/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 ABCB1 2021/4885ACHE 7/4885GABRA1 2379/4885

“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.