SCHEMBL6041695

SCHEMBL6041695

CC(C)C[C@H]1CN(Cc2ccccc2)CCC1=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.63
CCR5 P51681 4/20 0.45
APOBEC3A P31941 1/20 0.44
RECQL P46063 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ACHE P22303 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
SCHEMBL6041692 1.00 TACR1 (0.63) TACR1CCR5APOBEC3ARECQLAPOBEC3G
SCHEMBL1339508 0.84 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BKDM4E
SCHEMBL31193852 0.84 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BKDM4E
Hydrochloric Acid SCHEMBL19946931 0.83 TACR1 (0.60) TACR1SIGMAR1GRIN1GRIN2BKDM4E
SCHEMBL1618266 0.82 TACR1 (0.61) TACR1SIGMAR1GRIN1GRIN2BACHE
SCHEMBL6041583 0.82 TACR1 (0.61) TACR1SIGMAR1GRIN1GRIN2BACHE
SCHEMBL6042019 0.82 TACR1 (0.57) TACR1SIGMAR1GRIN1GRIN2BKMT2A
SCHEMBL6042023 0.82 TACR1 (0.57) TACR1SIGMAR1GRIN1GRIN2BKMT2A
SCHEMBL28164936 0.81 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BACHE
SCHEMBL5870998 0.81 TACR1 (0.59) TACR1APOBEC3ARECQLAPOBEC3GSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 TACR1 508/4885CCR5 2844/4885APOBEC3A 2179/4885

“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.