SCHEMBL12600493

SCHEMBL12600493

CCN(CC)Cc1cccc(COc2ccccc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MRGPRX4 Q96LA9 6/20 0.45
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ HTR1A P08908 2/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HTR5A P47898 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41

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
SCHEMBL12600530 0.85 MRGPRX4 (0.58) BCHEMRGPRX4HTR1AHTR2CHTR7
SCHEMBL15309708 0.84 MAPT (0.51) L3MBTL1MAPTMAPK1TDP1MRGPRX4
SCHEMBL12600483 0.84 BCHE (0.52) BCHEL3MBTL1MRGPRX4HTR1A
SCHEMBL12600485 0.83 MRGPRX4 (0.58) BCHEMAPTMRGPRX4
SCHEMBL12600488 0.82 BCHE (0.50) BCHEL3MBTL1MAPTMAPK1TDP1
SCHEMBL12600518 0.80 BCHE (0.75) BCHEL3MBTL1MAPK1MRGPRX4
SCHEMBL12330370 0.78 MRGPRX4 (0.55) L3MBTL1MAPTMAPK1TDP1MRGPRX4
SCHEMBL8621333 0.78 MAPT (0.51) L3MBTL1MAPTMAPK1TDP1MRGPRX4
SCHEMBL8283224 0.78 FFAR4 (0.56) L3MBTL1MAPTMAPK1TDP1MRGPRX4
SCHEMBL7766011 0.77 HRH3 (0.56) BCHEL3MBTL1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499112-B1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS UNILEVER PLC NO 41424 (GB) 2013-10-16 — — EP disclosed
US-8425885-B2 Substituted 3-(phenoxymethyl) benzyl amines and personal care compositions CONOPCO, INC. (US) 2013-04-23 — — US disclosed
US-8425885-B2 Substituted 3-(phenoxymethyl) benzyl amines and personal care compositions CONOPCO, INC. (US) 2013-04-23 — — US disclosed
US-20110110871-A1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER (US) 2011-05-12 — — US disclosed
US-20110110871-A1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER (US) 2011-05-12 — — US disclosed
WO-2011054805-A1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS UNILEVER PLC (GB) 2011-05-12 — — 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 (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-20110110871-A1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS TYR, CUTA, BRD3 BCHE 1155/4885L3MBTL1 1694/4885MAPT 1160/4885

“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.

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