SCHEMBL2995018

SCHEMBL2995018

OC(COc1cccc2[nH]c3ccccc3c12)CN1CCN(Cc2ccc(Br)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.57
ADRB3 P13945 12/20 0.57
ADRB1 P08588 11/20 0.57
DNM1 Q05193 1/20 0.46
TLR4 O00206 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCHE P06276 1/20 0.45
CHRNB2 P17787 1/20 0.45
ACHE P22303 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45

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
SCHEMBL2997640 0.83 ADRB3 (0.61) ADRB2ADRB3ADRB1DNM1
SCHEMBL2999951 0.81 ADRB2 (0.75) ADRB2ADRB3ADRB1DNM1TLR4
SCHEMBL2992569 0.80 ADRB3 (0.72) ADRB2ADRB3ADRB1DNM1TLR4
SCHEMBL2990896 0.78 ADRB3 (0.70) ADRB2ADRB3ADRB1DNM1TLR4
SCHEMBL2994599 0.78 ADRB2 (0.68) ADRB2ADRB3ADRB1DNM1TLR4
SCHEMBL16550133 0.77 MAPT (0.69) ADRB2ADRB3ADRB1DNM1MAPT
SCHEMBL2997254 0.77 MEN1 (0.64) ADRB2ADRB3ADRB1SMN1; SMN2
SCHEMBL2993358 0.77 ADRB2 (0.65) ADRB2ADRB3ADRB1DNM1TLR4
SCHEMBL2988158 0.77 ADRB2 (0.61) ADRB2ADRB3ADRB1
SCHEMBL2983464 0.77 ADRB3 (0.74) ADRB2ADRB3ADRB1DNM1

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-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

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 4160/4885ADRB3 3238/4885ADRB1 3273/4885

“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.