SCHEMBL22364324

SCHEMBL22364324

CCC1=C(COCCN)NC(C)C(C)(C)C1c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
ADRA2A P08913 2/20 0.47
CHRM1 P11229 2/20 0.47
DRD1 P21728 2/20 0.47
TBXA2R P21731 2/20 0.47
SLC6A2 P23975 2/20 0.47
ADRA1A P35348 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
KCNK2 O95069 1/20 0.47
ABCB11 O95342 1/20 0.47
ADRB2 P07550 1/20 0.47
ABCB1 P08183 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRB3 P13945 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2C P18825 1/20 0.47
HRH2 P25021 1/20 0.47

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
SCHEMBL31365893 0.77 TBXA2R (0.58) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL3865507 0.76 HTR1A (0.57) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL3888081 0.74 TBXA2R (0.59) HTR1AADRA2ACHRM1DRD1TBXA2R
Benzene SCHEMBL27651308 0.74 TBXA2R (0.59) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL13198587 0.71 HTR1A (0.58) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL31365892 0.71 HTR1A (0.58) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL16634960 0.67 TBXA2R (0.70) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL34462108 0.67 TBXA2R (0.70) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL30669880 0.67 TBXA2R (0.70) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL1610044 0.67 TBXA2R (0.70) HTR1AADRA2ACHRM1DRD1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758478-B2 Active agent loaded uniform, rigid, spherical, nanoporous calcium phosphate particles and methods of making and using the same LABORATORY SKIN CARE, INC. (US) 2020-09-01 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-10758478-B2 Active agent loaded uniform, rigid, spherical, nanoporous calcium phosphate particles and methods of making and using the same CHERP, ORAI1, CA2 HTR1A 4694/4885ADRA2A 2908/4885CHRM1 2928/4885

“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.