SCHEMBL12649645

SCHEMBL12649645

CC(C)NCc1cccc(COc2cccc3ccccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.61
▸ HTR1B P28222 4/20 0.58
▸ NR2E1 Q9Y466 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.53
▸ ADRB2 P07550 4/20 0.53
▸ ADRB1 P08588 4/20 0.53
▸ SIGMAR1 Q99720 4/20 0.53
▸ CYP2D6 P10635 4/20 0.53
▸ SLC6A4 P31645 4/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ HTR2B P41595 3/20 0.53
▸ ADRB3 P13945 3/20 0.53
▸ HTR2A P28223 3/20 0.53
▸ HTR2C P28335 3/20 0.53
▸ HTR6 P50406 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ SCN1A P35498 2/20 0.53
▸ SLC10A1 Q14973 2/20 0.53
▸ SCN2A Q99250 2/20 0.53

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
SCHEMBL12649702 0.85 MRGPRX4 (0.57) HTR1BALDH1A1SLC6A4SMN1; SMN2LMNA
SCHEMBL12649548 0.83 SLC2A1 (0.64) SLC2A1ALDH1A1SMN1; SMN2LMNAHTR1A
SCHEMBL12649547 0.82 HTR1B (0.57) HTR1BALDH1A1SLC6A4SMN1; SMN2LMNA
SCHEMBL25689411 0.79 MRGPRX4 (0.57) HTR1BNR2E1ALDH1A1ADRB2ADRB1
SCHEMBL27889549 0.78 MRGPRX4 (0.56) HTR1BNR2E1ALDH1A1ADRB2ADRB1
SCHEMBL1774820 0.77 MRGPRX4 (0.61) HTR1BALDH1A1SMN1; SMN2LMNAMRGPRX4
SCHEMBL25690631 0.77 MRGPRX4 (0.61) HTR1BALDH1A1HTR6SMN1; SMN2LMNA
SCHEMBL12600506 0.77 MRGPRX4 (0.61) HTR1BNR2E1ALDH1A1SMN1; SMN2LMNA
SCHEMBL12600468 0.76 MRGPRX4 (0.57) HTR1BALDH1A1SMN1; SMN2LMNAMRGPRX4
SCHEMBL29568609 0.76 MRGPRX4 (0.67) HTR1BALDH1A1SMN1; SMN2LMNAHTR1A

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
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-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 SLC2A1 4684/4885HTR1B 836/4885NR2E1 2255/4885

“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