SCHEMBL4665442

SCHEMBL4665442

N[C@@H](CCO)Cc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
CTNNB1 P35222 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ACP3 P15309 1/20 0.42
CYP2D6 P10635 1/20 0.41
MTNR1A P48039 1/20 0.41
AKT1 P31749 1/20 0.40
CA2 P00918 1/20 0.39
METAP2 P50579 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL1193153 0.86 CTNNB1 (0.50) TACR1CTNNB1TDP1CYP1A2CYP2C19
SCHEMBL289201 0.81 TDP1 (0.54) TACR1CTNNB1TDP1CYP1A2SLC1A3
SCHEMBL5324786 0.81 TDP1 (0.54) TACR1CTNNB1TDP1CYP1A2SLC1A3
SCHEMBL3470972 0.80 TACR1 (0.51) TACR1CTNNB1TDP1CYP1A2CYP2C19
SCHEMBL3441407 0.80 TACR1 (0.51) TACR1CTNNB1TDP1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3472368 0.79 TACR1 (0.50) TACR1CTNNB1TDP1CYP1A2CYP2C19
SCHEMBL31054201 0.78 HTR2A (0.55) TACR1CTNNB1CYP1A2CYP2C19CYP2C9
SCHEMBL7402726 0.78 CTNNB1 (0.53) TACR1CTNNB1TDP1CYP1A2CYP2C19
SCHEMBL31054151 0.78 HTR2A (0.55) TACR1CTNNB1CYP1A2CYP2C19CYP2C9
SCHEMBL266931 0.78 HTR2A (0.55) TACR1CTNNB1CYP1A2CYP2C19CYP2C9

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
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US claimed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO claimed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP claimed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP 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-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR TACR1 871/4885CTNNB1 4776/4885TDP1 3144/4885

“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.