SCHEMBL6044524

SCHEMBL6044524

CC(C)(C)c1ccc(CBr)c(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CCR5 P51681 2/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL6044383 0.85 MRGPRX4 (0.49) MAOBMRGPRX4TRPV1RXRARXRB
SCHEMBL19483249 0.83 MRGPRX4 (0.55) MRGPRX4RXRARXRBRXRGL3MBTL1
SCHEMBL11168946 0.82 MRGPRX4 (0.48) MAOBMRGPRX4RXRARXRBRXRG
SCHEMBL14703054 0.82 CCR5 (0.42) MAOBMRGPRX4RXRARXRBRXRG
SCHEMBL12024746 0.80 MRGPRX4 (0.56) MRGPRX4RXRARXRBRXRGL3MBTL1
SCHEMBL9381880 0.80 MAPT (0.50) MAOBMRGPRX4L3MBTL1MAPTMAPK1
SCHEMBL8253237 0.79 NPC1 (0.55) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL12622630 0.79 SMPD1 (0.53) MRGPRX4RXRARXRBRXRGMAPK1
SCHEMBL2383267 0.79 MRGPRX4 (0.51) MAOBMRGPRX4RXRARXRBRXRG
SCHEMBL12772153 0.79 SMN1; SMN2 (0.52) MRGPRX4RXRARXRBRXRGL3MBTL1

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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 MAOB 418/4885MRGPRX4 409/4885TRPV1 3894/4885

“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.