SCHEMBL6044726

SCHEMBL6044726

O=C(O)N1CCC(c2ccc(F)cc2)CC1[C@@H](Cc1ccc2ccccc2c1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.42
TACR1 P25103 1/20 0.38
CCR3 P51677 2/20 0.38
SLC18A3 Q16572 2/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36

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
SCHEMBL6044326 1.00 MCHR1 (0.42) MCHR1TACR1CCR3SLC18A3SLC1A3
SCHEMBL6042254 1.00 MCHR1 (0.42) MCHR1TACR1CCR3SLC18A3SLC1A3
SCHEMBL7562668 0.88 MCHR1 (0.40) MCHR1TACR1CCR3SLC18A3ALDH1A1
SCHEMBL6042959 0.87 MCHR1 (0.41) MCHR1TACR1CCR3ALDH1A1GAA
SCHEMBL6042963 0.87 MCHR1 (0.41) MCHR1TACR1CCR3ALDH1A1GAA
SCHEMBL6043085 0.87 MCHR1 (0.41) MCHR1TACR1CCR3ALDH1A1GAA
SCHEMBL6042262 0.78 FAAH (0.43) MCHR1SLC18A3SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL6045103 0.76 REN (0.37) SLC1A3SLC1A2SLC1A1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6042633 0.76 REN (0.37) SLC1A3SLC1A2SLC1A1SLC6A2SLC6A4
SCHEMBL6042950 0.69 CCR1 (0.44) MCHR1TACR1CCR3ALDH1A1GAA

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
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO 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 MCHR1 3054/4885TACR1 508/4885CCR3 3286/4885

“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.