SCHEMBL2298032

SCHEMBL2298032

CC(C)(C)NC[C@@H](O)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.56
LMNA P02545 4/20 0.56
TSHR P16473 3/20 0.56
HIF1A Q16665 3/20 0.56
CYP3A4 P08684 2/20 0.56
CASP7 P55210 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C9 P11712 1/20 0.56
ADRB1 P08588 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
NFKB1 P19838 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
ADRB3 P13945 1/20 0.51
HTR1A P08908 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL10484862 1.00 ADRB2 (0.56) ADRB2LMNATSHRHIF1ACYP3A4
SCHEMBL2293172 1.00 ADRB2 (0.56) ADRB2LMNATSHRHIF1ACYP3A4
SCHEMBL4627125 0.84 AOC3 (0.44) ADRB2TSHRHIF1ACYP2C9ADRB1
SCHEMBL6464765 0.83 HIF1A (0.68) ADRB2LMNATSHRHIF1ACYP3A4
SCHEMBL28319296 0.83 ADRB2 (0.58) ADRB2LMNATSHRHIF1ACYP3A4
SCHEMBL30534867 0.83 HIF1A (0.68) ADRB2LMNATSHRHIF1ACYP3A4
SCHEMBL24302604 0.82 KMT2A (0.51) ADRB2LMNATSHRHIF1ACYP3A4
SCHEMBL28319300 0.82 ADRB2 (0.56) ADRB2LMNATSHRHIF1ACYP3A4
SCHEMBL20687559 0.81 ADRB2 (0.56) ADRB2LMNATSHRHIF1ACYP3A4
SCHEMBL2299015 0.81 ADRB2 (0.56) ADRB2LMNATSHRHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 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 (3 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB2 1160/4885LMNA 3268/4885TSHR 3633/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB2 1160/4885LMNA 3268/4885TSHR 3633/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB2 1160/4885LMNA 3268/4885TSHR 3633/4885

“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.