SCHEMBL2992432

SCHEMBL2992432

C[C@@H](NCC(O)COc1cccc2[nH]c3ccccc3c12)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.79
DNM1 Q05193 2/20 0.79
TLR4 O00206 5/20 0.64
ADRB3 P13945 8/20 0.60
ADRB1 P08588 4/20 0.60
DRD2 P14416 3/20 0.60
HTR1A P08908 3/20 0.60
ADRA2A P08913 3/20 0.60
SLC6A2 P23975 3/20 0.60
OPRM1 P35372 3/20 0.60
DRD3 P35462 3/20 0.60
KMT2A Q03164 3/20 0.60
HTR2A P28223 3/20 0.60
HTR2C P28335 3/20 0.60
SLC6A4 P31645 3/20 0.60
HTR2B P41595 3/20 0.60
HTR6 P50406 3/20 0.60
ABCB11 O95342 2/20 0.60
MAPT P10636 2/20 0.60
SLC22A1 O15245 2/20 0.60

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
Carazolol SCHEMBL29354289 0.89 ADRB2 (1.00) ADRB2DNM1TLR4ADRB3ADRB1
Carazolol SCHEMBL77901 0.89 ADRB2 (1.00) ADRB2DNM1TLR4ADRB3ADRB1
Carazolol SCHEMBL77903 0.89 ADRB2 (1.00) ADRB2DNM1TLR4ADRB3ADRB1
Carazolol SCHEMBL6511163 0.89 ADRB2 (1.00) ADRB2DNM1TLR4ADRB3ADRB1
Carazolol SCHEMBL10568418 0.87 ADRB2 (0.98) ADRB2DNM1TLR4ADRB3ADRB1
Carazolol SCHEMBL7530148 0.87 ADRB2 (0.98) ADRB2DNM1TLR4ADRB3ADRB1
Fluorocarazolol SCHEMBL14155316 0.84 ADRB2 (0.79) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL3002063 0.83 ADRB2 (0.78) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL4727258 0.81 ADRB2 (0.73) ADRB2DNM1TLR4ADRB3ADRB1
Hydrochloric Acid SCHEMBL7524070 0.80 ADRB2 (0.77) ADRB2ADRB3ADRB1HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US claimed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US claimed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 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-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors IL6, IL6ST, STAT3 ADRB2 4160/4885DNM1 4698/4885TLR4 873/4885

“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.