SCHEMBL6074664

SCHEMBL6074664

CCCCOc1ccc(S(=O)(=O)Nc2ccc(N3CC(N(Cc4ccccc4)C[C@H](O)COc4ccc(OCc5ccccc5)cc4)C3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.47
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GHSR Q92847 1/20 0.43
ADRB2 P07550 6/20 0.43
ADRB1 P08588 6/20 0.43
ADRB3 P13945 6/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL6074962 0.91 ADRB2 (0.49) ARPOLBTDP1GHSRADRB2
SCHEMBL6075083 0.88 GHSR (0.50) ARGHSR
SCHEMBL6074935 0.85 ADRB3 (0.55) ADRB2ADRB1ADRB3
SCHEMBL6982753 0.80 ADRB3 (0.42) ARPOLBADRB2ADRB1ADRB3
SCHEMBL6074963 0.79 GAA (0.45) POLBADRB3LMNASMN1; SMN2
SCHEMBL6074807 0.78 POLB (0.45) POLBADRB3SMN1; SMN2CACNA1B
SCHEMBL6074347 0.76 ADRB3 (0.52) ADRB2ADRB1ADRB3LMNASMN1; SMN2
SCHEMBL6074513 0.76 ADRB1 (0.54) TDP1GHSRADRB2ADRB1ADRB3
SCHEMBL6983313 0.74 ALDH1A1 (0.42) POLBADRB2ADRB1ADRB3PTPN2
SCHEMBL6075016 0.74 ADRB3 (0.44) POLBADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 AR 285/4885POLB 1964/4885TDP1 1110/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 AR 285/4885POLB 1964/4885TDP1 1110/4885

“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.