SCHEMBL3624749

SCHEMBL3624749

CC(C)(C)c1ccc(CNCCc2ccccc2)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.61
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAOB P27338 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 1/20 0.45
ESRRG P62508 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRB2 P07550 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43

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
SCHEMBL5176309 0.88 L3MBTL1 (0.49) MPOCA2CA1CA12ESRRG
SCHEMBL3615418 0.87 PKM (0.57) MPORAB9AMAOBGAACA2
SCHEMBL3618885 0.81 ALDH1A1 (0.47) MPOMAOBGAAMAPTCA2
SCHEMBL3624690 0.80 ALDH1A1 (0.46) MPOMAOBGAAMAPTCA2
SCHEMBL3621681 0.78 MPO (0.48) MPONPC1RAB9AGAAMAPT
SCHEMBL3623067 0.78 ALDH1A1 (0.44) MPOMAOBGAAMAPTCA2
SCHEMBL3240039 0.77 GAA (0.67) NPC1RAB9AGAAMAPTCA2
SCHEMBL3624101 0.77 ALDH1A1 (0.50) MAOBGAAMAPTCA2CA12
SCHEMBL22980024 0.77 MPO (1.00) MPOGAAMAPTCA2CA1
SCHEMBL3614690 0.76 ALDH1A1 (0.48) MAOBGAAMAPTALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 2005-10-20 US claimed
US-7834062-B2 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090298949-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK SHARP & DOHME LLC 2009-12-03 US disclosed
US-7589127-B2 Aminoalkylphenols, methods of using and making the same MERCK & CO., INC. (US) 2009-09-15 US disclosed
EP-1517879-A4 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK & CO INC (US) 2006-09-13 EP disclosed
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 2005-10-20 US disclosed
EP-1517879-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME Merck & Co., Inc. (US) 2005-03-30 EP disclosed
WO-2004000783-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK & CO., INC. (US) 2003-12-31 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 (2 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-20090298949-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME NPEPPS, PHOSPHO1, LNPEP MPO 1816/4885NPC1 3015/4885RAB9A 3564/4885
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP MPO 1816/4885NPC1 3015/4885RAB9A 3564/4885

“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.