SCHEMBL12600468

SCHEMBL12600468

CN(C)Cc1cccc(COc2cccc3ccccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.57
▸ HTR1B P28222 5/20 0.55
▸ HTR1D P28221 2/20 0.55
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HTR7 P34969 1/20 0.47
▸ DHFR P00374 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ NISCH Q9Y2I1 1/20 0.45
▸ MGMT P16455 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44

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
SCHEMBL12600485 0.86 MRGPRX4 (0.58) MRGPRX4HTR1BHTR1DMAPTNPC1
SCHEMBL1774820 0.83 MRGPRX4 (0.61) MRGPRX4HTR1BHTR1DMAPTNPC1
SCHEMBL25690631 0.80 MRGPRX4 (0.61) MRGPRX4HTR1BHTR1DMAPTNPC1
SCHEMBL12600506 0.80 MRGPRX4 (0.61) MRGPRX4HTR1BHTR1DMAPTNPC1
SCHEMBL12649702 0.79 MRGPRX4 (0.57) MRGPRX4HTR1BHTR1DMAPTNPC1
SCHEMBL12600480 0.79 CARM1 (0.49) MRGPRX4MAPTHTR7GAAMAOB
SCHEMBL27629 0.79 MRGPRX4 (0.67) MRGPRX4HTR1BHTR1DMAPTNPC1
SCHEMBL29568609 0.79 MRGPRX4 (0.67) MRGPRX4HTR1BHTR1DMAPTNPC1
SCHEMBL27889548 0.78 MRGPRX4 (0.58) MRGPRX4HTR1BHTR1DMAPTNPC1
SCHEMBL12649547 0.77 HTR1B (0.57) MRGPRX4HTR1BHTR1DMAPTNPC1

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 5 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

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 MRGPRX4 3487/4885HTR1B 836/4885HTR1D 1477/4885

“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.

Send feedback