SCHEMBL10820745

SCHEMBL10820745

CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(S)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 8/20 0.69
ADRA1A P35348 8/20 0.69
ADRA1B P35368 8/20 0.69
ADRB2 P07550 3/20 0.69
HTR1A P08908 2/20 0.69
ADRB1 P08588 1/20 0.69
ADRA2A P08913 1/20 0.69
DRD2 P14416 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
HTR2A P28223 1/20 0.69
HTR7 P34969 1/20 0.69
OPRM1 P35372 1/20 0.69
DRD3 P35462 1/20 0.69
HTR2B P41595 1/20 0.69
KCNH2 Q12809 1/20 0.69
SIGMAR1 Q99720 7/20 0.54
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL13067271 1.00 ADRA1D (0.69) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL13633242 0.86 ADRA1D (0.52) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL51245 0.84 ADRA1D (0.67) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL9548034 0.84 ADRA1D (0.67) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL14388991 0.84 ADRA1A (0.56) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL13985899 0.84 ADRA1D (0.70) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL11218388 0.84 ADRA1D (0.66) ADRA1DADRA1AADRA1BADRB2HTR1A
Hydrochloric Acid SCHEMBL9548113 0.84 ADRA1D (0.66) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL12225350 0.84 ADRA1A (0.57) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL3169158 0.83 ADRA1D (0.62) ADRA1DADRA1AADRA1BADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222452-B2 Method for producing optically active amines HAMARI CHEMICALS, LTD. (JP) 2012-07-17 US disclosed
US-20100160636-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES HAMARI CHEMICALS, LTD. (JP) 2010-06-24 US disclosed
US-20090137844-A1 Crystallization process FERMION OY (FI) 2009-05-28 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 (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-20090137844-A1 Crystallization process KLK5, REN, PCSK6 ADRA1D 76/4885ADRA1A 65/4885ADRA1B 75/4885
US-20100160636-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES INMT, HNMT, PADI3 ADRA1D 1633/4885ADRA1A 1737/4885ADRA1B 1712/4885

“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.